2-[(4-pyrrol-1-ylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: 2-[(4-pyrrol-1-ylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: 2-[(4-pyrrol-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate IUPAC Name: 2-[(4-pyrrol-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-pyrrol-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Formula: C21H19N2O3S- MolecularWeight: 379.45216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)[O-])NC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)[O-])NC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H20N2O3S/c24-19(14-8-10-15(11-9-14)23-12-4-5-13-23)22-20-18(21(25)26)16-6-2-1-3-7-17(16)27-20/h4-5,8-13H,1-3,6-7H2,(H,22,24)(H,25,26)/p-1