AC1LDUWE
methyl 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: IFLab1_005791|IFLab2_000211|KS-00003V4K|IDI1_011194|IDI1_019237|AN-329/12120325|SR-01000247526-1|methyl 2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(cyclopropanecarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-(cyclopropylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(cyclopropylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carb oxylate|METHYL 2-CYCLOPROPANEAMIDO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester|2-[[cyclopropyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
| Molecular Formula | C14H17NO3S |
|---|---|
| Molecular Weight | 279.09293 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.09293 |
| Monoisotopic Mass | 279.09293 |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 433688-89-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC3 |
| InChIKey | HYUUOECEUSDWTC-UHFFFAOYSA-N |
Product Overview
AC1LDUWE (CAS 433688-89-2), with molecular formula C14H17NO3S and molecular weight 279.09293 g/mol. IUPAC: methyl 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.