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

Systemtic Name: propan-2-yl 4-cyano-5-[[2-(2,4-dichlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-[[2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[2-(2,4-dichlorophenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C27H21Cl2N3O3S MolecularWeight: 538.44494

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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=C(C=C(C=C4)Cl)Cl)C)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H21Cl2N3O3S/c1-13(2)35-27(34)24-14(3)19(12-30)26(36-24)32-25(33)22-15(4)23(17-10-9-16(28)11-20(17)29)31-21-8-6-5-7-18(21)22/h5-11,13H,1-4H3,(H,32,33)