AC1LDVAB
methyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate
Also Known As: Oprea1_088541|Oprea1_183437|KS-00004AJS|BAS 00803289|AB00686066-01|AG-690/12134087|methyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate|SR-01000423022-1|methyl 4-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoate|F1443-4905|methyl 3-[N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl]pro panoate|methyl 4-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobutanoate|N-(3-Carbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-succinamic acid methyl|METHYL 3-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]PROPANOATE
| Molecular Formula | C14H18N2O4S |
|---|---|
| Molecular Weight | 310.09872 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.09872 |
| Monoisotopic Mass | 310.09872 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 307339-52-2 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N |
| InChIKey | YDSSOOIPPDUIDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LDVAB (CAS 307339-52-2), with molecular formula C14H18N2O4S and molecular weight 310.09872 g/mol. IUPAC: methyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate.