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

Systemtic Name: [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-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-ethoxycarbonyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(4-carbethoxypiperidino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-4-29-21(27)15-7-9-25(10-8-15)20(26)13(2)30-22(28)16-11-18(14-5-6-14)24-19(31-3)17(16)12-23/h11,13-15H,4-10H2,1-3H3