dimethyl 5-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(4-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H19BrN2O5S MolecularWeight: 539.39776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C25H19BrN2O5S/c1-13-20(24(30)32-2)23(34-21(13)25(31)33-3)28-22(29)17-12-19(14-8-10-15(26)11-9-14)27-18-7-5-4-6-16(17)18/h4-12H,1-3H3,(H,28,29)