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

Systemtic Name: ethyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H21BrN2O4S MolecularWeight: 537.42494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21BrN2O4S/c1-4-33-26(32)22-14(2)23(15(3)30)34-25(22)29-24(31)19-13-21(16-8-7-9-17(27)12-16)28-20-11-6-5-10-18(19)20/h5-13H,4H2,1-3H3,(H,29,31)