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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H21BrN2O3S MolecularWeight: 557.45764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C29H21BrN2O3S/c1-2-35-29(34)26-23(18-12-14-20(30)15-13-18)17-36-28(26)32-27(33)22-16-25(19-8-4-3-5-9-19)31-24-11-7-6-10-21(22)24/h3-17H,2H2,1H3,(H,32,33)