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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[2-(2-methylphenyl)quinolin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[2-(o-tolyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[2-(2-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(o-tolyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C29H21BrN2O3S MolecularWeight: 557.45764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

InChI

InChI=1S/C29H21BrN2O3S/c1-17-7-3-4-8-20(17)25-15-22(21-9-5-6-10-24(21)31-25)27(33)32-28-26(29(34)35-2)23(16-36-28)18-11-13-19(30)14-12-18/h3-16H,1-2H3,(H,32,33)