AC1LETIF
4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: Oprea1_100205|Oprea1_231357|4-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobutanoic acid|BAS 00264550|4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid|AH-262/32338010|4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid|F1018-0587|2-(3-Carboxy-propionylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester|3-{[3-(ETHOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID|2-(3-CARBOXY-PROPIONYLAMINO)-4H-BENZO(B)THIOPHENE-3-CARBOXYLIC ACID ET ESTER|4-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobutanoicacid|4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoic acid|4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid|4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C15H19NO5S |
|---|---|
| Molecular Weight | 325.0984 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.0984 |
| Monoisotopic Mass | 325.0984 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 62159-41-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)O |
| InChIKey | PJLKFDHWTSQMKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LETIF (CAS 62159-41-5), with molecular formula C15H19NO5S and molecular weight 325.0984 g/mol. IUPAC: 4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid.
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