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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(3-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3-methyl-2-phenyl-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=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

InChI

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