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

Systemtic Name: propan-2-yl 5-[[2-(4-chlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-[[2-(4-chlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-(4-chlorophenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4-chlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C27H22ClN3O3S MolecularWeight: 503.99988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN3O3S/c1-14(2)34-27(33)24-15(3)20(13-29)26(35-24)31-25(32)22-16(4)23(17-9-11-18(28)12-10-17)30-21-8-6-5-7-19(21)22/h5-12,14H,1-4H3,(H,31,32)