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

Systemtic Name: diethyl 5-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H23BrN2O5S MolecularWeight: 567.45092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C27H23BrN2O5S/c1-4-34-26(32)22-15(3)23(27(33)35-5-2)36-25(22)30-24(31)19-14-21(16-9-8-10-17(28)13-16)29-20-12-7-6-11-18(19)20/h6-14H,4-5H2,1-3H3,(H,30,31)