(6S)-6-methyl-2-[(4-pyrrol-1-ylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6S)-6-methyl-2-[(4-pyrrol-1-ylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-methyl-2-[(4-pyrrol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-methyl-2-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-methyl-2-[(4-pyrrol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-methyl-2-[(4-pyrrol-1-ylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H20N2O3S/c1-13-4-9-16-17(12-13)27-20(18(16)21(25)26)22-19(24)14-5-7-15(8-6-14)23-10-2-3-11-23/h2-3,5-8,10-11,13H,4,9,12H2,1H3,(H,22,24)(H,25,26)/t13-/m0/s1