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

Systemtic Name: methyl 4-cyano-3-methyl-5-[[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[3-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=C(C(=C(S4)C(=O)OC)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=C(C(=C(S4)C(=O)OC)C)C#N

InChI

InChI=1S/C26H21N3O3S/c1-14-9-11-17(12-10-14)22-16(3)21(18-7-5-6-8-20(18)28-22)24(30)29-25-19(13-27)15(2)23(33-25)26(31)32-4/h5-12H,1-4H3,(H,29,30)