[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3)C

InChI

InChI=1S/C20H25N3O3S/c1-12-6-13(2)10-23(9-12)18(24)11-26-20(25)15-7-17(14-4-5-14)22-19(27-3)16(15)8-21/h7,12-14H,4-6,9-11H2,1-3H3