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

Systemtic Name: propan-2-yl 5-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-(4-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C26H20BrN3O3S MolecularWeight: 534.4243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)OC(C)C

InChI

InChI=1S/C26H20BrN3O3S/c1-14(2)33-26(32)23-15(3)20(13-28)25(34-23)30-24(31)19-12-22(16-8-10-17(27)11-9-16)29-21-7-5-4-6-18(19)21/h4-12,14H,1-3H3,(H,30,31)