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

Systemtic Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-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-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(4-carbethoxypiperidino)-2-keto-ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C21H25N3O5S/c1-3-28-20(26)14-6-8-24(9-7-14)18(25)12-29-21(27)15-10-17(13-4-5-13)23-19(30-2)16(15)11-22/h10,13-14H,3-9,12H2,1-2H3