methyl 2-[[2-(3-methylphenyl)quinolin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(3-methylphenyl)quinolin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(m-tolyl)quinoline-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(m-tolyl)quinoline-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C29H22N2O3S MolecularWeight: 478.56158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C29H22N2O3S/c1-18-9-8-12-20(15-18)25-16-22(21-13-6-7-14-24(21)30-25)27(32)31-28-26(29(33)34-2)23(17-35-28)19-10-4-3-5-11-19/h3-17H,1-2H3,(H,31,32)