[2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-2-[[2-keto-2-(p-toluidino)ethyl]-methyl-amino]ethyl] ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C23H24N4O4S/c1-14-4-8-16(9-5-14)25-20(28)12-27(2)21(29)13-31-23(30)17-10-19(15-6-7-15)26-22(32-3)18(17)11-24/h4-5,8-10,15H,6-7,12-13H2,1-3H3,(H,25,28)