2-[(4-pyrrol-1-ylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[(4-pyrrol-1-ylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(4-pyrrol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(4-pyrrol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-pyrrol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C20H17N2O3S- MolecularWeight: 365.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4)C(=O)[O-]

InChI

InChI=1S/C20H18N2O3S/c23-18(13-7-9-14(10-8-13)22-11-3-4-12-22)21-19-17(20(24)25)15-5-1-2-6-16(15)26-19/h3-4,7-12H,1-2,5-6H2,(H,21,23)(H,24,25)/p-1