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

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-[[2-(p-tolyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(p-tolyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylic acid isopropyl ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)C)C)C#N

InChI

InChI=1S/C27H23N3O3S/c1-15(2)33-27(32)24-17(4)21(14-28)26(34-24)30-25(31)20-13-23(18-11-9-16(3)10-12-18)29-22-8-6-5-7-19(20)22/h5-13,15H,1-4H3,(H,30,31)