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

Systemtic Name: methyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C28H18BrClN2O3S MolecularWeight: 577.87612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H18BrClN2O3S/c1-35-28(34)25-22(16-9-11-19(30)12-10-16)15-36-27(25)32-26(33)21-14-24(17-5-4-6-18(29)13-17)31-23-8-3-2-7-20(21)23/h2-15H,1H3,(H,32,33)