ethyl 4-(4-bromophenyl)-2-[[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C31H25BrN2O5S MolecularWeight: 617.5096

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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(=C(C=C5)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H25BrN2O5S/c1-4-39-31(36)28-23(18-9-12-20(32)13-10-18)17-40-30(28)34-29(35)22-16-25(33-24-8-6-5-7-21(22)24)19-11-14-26(37-2)27(15-19)38-3/h5-17H,4H2,1-3H3,(H,34,35)