AC1LETHF
4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: CBMicro_015258|KS-00004AJH|BAS 00803294|(E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid|4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid|4-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid|(2E)-3-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]PROP-2-ENOIC ACID|(2E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid|(E)-4-{[3-(Aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxo-2-butenoic acid
| Molecular Formula | C13H14N2O4S |
|---|---|
| Molecular Weight | 294.0674 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0674 |
| Monoisotopic Mass | 294.0674 |
| Heavy Atoms | 20 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 304666-99-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC(=O)O)C(=O)N |
| InChIKey | MZFPKQUBJJOMRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LETHF (CAS 304666-99-7), with molecular formula C13H14N2O4S and molecular weight 294.0674 g/mol. IUPAC: 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid.