AC1NYHUS
(E)-4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: AS-871/11990728|(E)-4-((3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobut-2-enoic acid|(E)-4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid|F1383-0027|3-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]prop-2-enoic Acid|4-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid|4-{[3-(ETHOXYCARBONYL)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}-4-OXO-2-BUTENOIC ACID
| Molecular Formula | C16H19NO5S |
|---|---|
| Molecular Weight | 337.0984 g/mol |
| LogP | 2.6289 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.0984 |
| Monoisotopic Mass | 337.0984 |
| Heavy Atoms | 23 |
| Complexity | 661.67303 |
Chemical Identifiers
| CAS Number | 375357-76-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)/C=C/C(=O)O |
Product Overview
AC1NYHUS (CAS 375357-76-9), with molecular formula C16H19NO5S and molecular weight 337.0984 g/mol. IUPAC: (E)-4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid.