| CAS Number | 733796-15-1 |
| Catalog Number | AG019I9G |
| Chemical Name | 4-ethyl 2-(2-methoxyethyl) 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate |
| IUPAC Name | 4-O-ethyl 2-O-(2-methoxyethyl) 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate |
| InChI | InChI=1S/C14H18ClNO6S/c1-4-21-13(18)10-8(2)11(14(19)22-6-5-20-3)23-12(10)16-9(17)7-15/h4-7H2,1-3H3,(H,16,17) |
| InChI Key | BEOFEXXTXNZDAX-UHFFFAOYSA-N |
| MDL Number | MFCD04610473 |
| Molecular Formula | C14H18ClNO6S |
| Molecular Weight | 363.8138 |
| SMILES | CCOC(C1=C(NC(CCl)=O)SC(C(OCCOC)=O)=C1C)=O |
| Synonyms | 4-ethyl 2-(2-methoxyethyl) 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate,
733796-15-1,
5-(2-Chloro-acetylamino)-3-methyl-thiophene-2,4-dicarboxylic acid 4-ethyl ester 2-(2-methoxy-ethyl) ester,
AC1M6QYQ,
AC1Q33ET,
CTK8F6351,
ZINC3337435,
SBB078062,
AKOS001061733,
MCULE-6005581065,
NE12872,
UPCMLD0ENAT0518-3080:001,
EN300-06073,
2-methoxyethyl 5-(2-chloroacetylamino)-4-(ethoxycarbonyl)-3-methylthiophene-2- carboxylate,
4-O-ethyl 2-O-(2-methoxyethyl) 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate,
ZINC03337435,
CID2453622,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.809g/mol |
| Monoisotopic Mass | 363.054g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number