[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C21H21N3O4S/c1-12(19(25)23-14-6-8-15(27-2)9-7-14)28-21(26)16-10-18(13-4-5-13)24-20(29-3)17(16)11-22/h6-10,12-13H,4-5H2,1-3H3,(H,23,25)