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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-p-phenetylquinoline-4-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C31H25BrN2O4S MolecularWeight: 601.5102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OCC

InChI

InChI=1S/C31H25BrN2O4S/c1-3-37-22-15-11-20(12-16-22)27-17-24(23-7-5-6-8-26(23)33-27)29(35)34-30-28(31(36)38-4-2)25(18-39-30)19-9-13-21(32)14-10-19/h5-18H,3-4H2,1-2H3,(H,34,35)