AG00IACP

58168-20-0 | Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate

AG00IACP

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CAS Number	58168-20-0
Catalog Number	AG00IACP(AGN-PC-0KKB9X)
Chemical Name	Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
IUPAC Name	ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
InChI	InChI=1S/C12H14N2O4S/c1-3-17-9(15)5-7-8(6-13)11(14)19-10(7)12(16)18-4-2/h3-5,14H2,1-2H3
InChI Key	FLAGIUJSXKJCOB-UHFFFAOYSA-N
MDL Number	MFCD00832845
Molecular Formula	C12H14N2O4S
Molecular Weight	282.3156
SMILES	O=C(C1=C(CC(OCC)=O)C(C#N)=C(N)S1)OCC
Synonyms	58168-20-0, Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate, Ethyl5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate, AK-49944, 5-Amino-4-cyano-2-(ethoxycarbonyl)-3-thiopheneacetic acid ethyl ester, 5-Amino-4-cyano-3-(2-ethoxycarbonylmethyl)thiophene-2-carboxylic Acid Ethyl Ester, AC1MCDFT, Maybridge4_004122, SCHEMBL2554376, THI060, CTK5A7952, DTXSID70372423, HMS1532L08, BCP02630, ZINC4390439, ANW-53099, CE0012, MFCD00832845, AKOS004123357, AC-5928, ACN-039909, CCG-245243, MCULE-9337010627, RP29871, IDI1_032944, KS-00000F16, AJ-51035, AN-10476, SC-19803, TS-00985, AB0006902, AX8102293, DB-024440, ST2406970, TC-141844, 4CH-018835, E0980, FT-0688417, 168E200, 5-Amino-4-cyano-3-ethoxycarbonylmethyl-thiophene-2, J-521332, I14-11468, 5-amino-4-cy ano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate, 2-(Ethoxycarbonyl)-4-cyano-5-amino-3-thiopheneacetic acid ethyl ester, 3-Thiopheneacetic acid, 5-amino-4-cyano-2-(ethoxycarbonyl)-, ethyl ester, 3-Thiopheneacetic acid,5-amino-4-cyano-2-(ethoxycarbonyl)-, ethyl ester, ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxo-ethyl)thiophene-2-carboxylate, Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)-2-thiophenecarboxylate, Ethyl 5-Amino-4-cyano-3-(2-ethoxycarbonylmethyl)thiophene-2-carboxylate, C12H14N2O4S, FLAGIUJSXKJCOB-UHFFFAOYSA-N, ZINC04390439, CID2741370, Ethyl5-amino-4-cyano-3- thiophene-2-carboxylate, 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate, ETHYL 5-AMINO-4-CYANO-3-(2-ETHOXY-2-OXOETHYL)THIOPHENE-2-CARBOXYLA TE,

Complexity	392
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.067g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	282.314g/mol
Monoisotopic Mass	282.067g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	131A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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