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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C28H19BrN2O3S MolecularWeight: 543.43106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19BrN2O3S/c1-34-28(33)25-22(17-11-13-19(29)14-12-17)16-35-27(25)31-26(32)21-15-24(18-7-3-2-4-8-18)30-23-10-6-5-9-20(21)23/h2-16H,1H3,(H,31,32)