[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-[(2-methyl-1-phenyl-propyl)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-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-phenylpropyl)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-methyl-1-phenyl-propyl)amino]ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-14(2)21(16-7-5-4-6-8-16)26-20(27)13-29-23(28)17-11-19(15-9-10-15)25-22(30-3)18(17)12-24/h4-8,11,14-15,21H,9-10,13H2,1-3H3,(H,26,27)