ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C19H22N2O5S2/c1-3-26-19(23)17-15-6-4-5-7-16(15)27-18(17)21-28(24,25)14-10-8-13(9-11-14)20-12(2)22/h8-11,21H,3-7H2,1-2H3,(H,20,22)