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

Systemtic Name: ethyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H23BrN2O3S MolecularWeight: 523.44142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C26H23BrN2O3S/c1-4-18-15(3)33-25(23(18)26(31)32-5-2)29-24(30)20-14-22(16-9-8-10-17(27)13-16)28-21-12-7-6-11-19(20)21/h6-14H,4-5H2,1-3H3,(H,29,30)