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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

InChI

InChI=1S/C31H25BrN2O4S/c1-3-16-38-22-14-10-20(11-15-22)27-17-24(23-6-4-5-7-26(23)33-27)29(35)34-30-28(31(36)37-2)25(18-39-30)19-8-12-21(32)13-9-19/h4-15,17-18H,3,16H2,1-2H3,(H,34,35)