methyl 3-[[4-(phenylmethyl)thieno[3,2-b]pyrrol-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(phenylmethyl)thieno[3,2-b]pyrrol-5-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[4-(phenylmethyl)-5-thieno[3,2-b]pyrrolyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]benzoate Traditional Name: 3-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]benzoic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3

InChI

InChI=1S/C22H18N2O3S/c1-27-22(26)16-8-5-9-17(12-16)23-21(25)19-13-20-18(10-11-28-20)24(19)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,25)