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

Systemtic Name: methyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H21BrN2O3S MolecularWeight: 509.41484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN2O3S/c1-4-17-14(2)32-24(22(17)25(30)31-3)28-23(29)19-13-21(15-8-7-9-16(26)12-15)27-20-11-6-5-10-18(19)20/h5-13H,4H2,1-3H3,(H,28,29)