| CAS Number | 2007931-02-2 |
| Catalog Number | AG01EFN2 |
| Chemical Name | 1,4-diethyl 2-{[4-(methoxycarbonyl)thiophen-3-yl]amino}but-2-enedioate |
| IUPAC Name | diethyl (E)-2-[(4-methoxycarbonylthiophen-3-yl)amino]but-2-enedioate |
| InChI | InChI=1S/C14H17NO6S/c1-4-20-12(16)6-10(14(18)21-5-2)15-11-8-22-7-9(11)13(17)19-3/h6-8,15H,4-5H2,1-3H3/b10-6+ |
| InChI Key | WJWNHUSQPKHOIB-UXBLZVDNSA-N |
| MDL Number | MFCD31720433 |
| Molecular Formula | C14H17NO6S |
| Molecular Weight | 327.3529 |
| SMILES | CCOC(=O)C=C(Nc1cscc1C(=O)OC)C(=O)OCC |
| Synonyms | diethyl 2-((4-(methoxycarbonyl)thiophen-3-yl)amino)but-2-enedioate,
2007931-02-2,
MFCD30471895,
ZINC498050831,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 327.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.351g/mol |
| Monoisotopic Mass | 327.078g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number