AC1LEJTN
ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_475613|Oprea1_837039|KS-00004CZ4|BAS 00676158|ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|AE-848/34401046|SR-01000423131-1|ethyl 2-(4-methoxy-4-oxobutanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|2-(3-methoxycarbonyl-propionylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester|ETHYL 2-(4-METHOXY-4-OXOBUTANAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|methyl 3-{N-[3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl]carbam oyl}propanoate
| Molecular Formula | C16H21NO5S |
|---|---|
| Molecular Weight | 339.11404 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.11404 |
| Monoisotopic Mass | 339.11404 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 62159-45-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)OC |
| InChIKey | SLKIILPFAUJMKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LEJTN (CAS 62159-45-9), with molecular formula C16H21NO5S and molecular weight 339.11404 g/mol. IUPAC: ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.