ethyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H24BrN3O4S MolecularWeight: 566.46616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24BrN3O4S/c1-5-35-27(34)22-15(2)23(26(33)31(3)4)36-25(22)30-24(32)19-14-21(16-9-8-10-17(28)13-16)29-20-12-7-6-11-18(19)20/h6-14H,5H2,1-4H3,(H,30,32)