ethyl 5-cyano-6-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(4-methoxycarbonyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(4-methoxycarbonyl-1-piperidinyl)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(4-carbomethoxypiperidino)-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCC(CC2)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCC(CC2)C(=O)OC)C

InChI

InChI=1S/C19H23N3O5S/c1-4-27-19(25)15-9-14(10-20)17(21-12(15)2)28-11-16(23)22-7-5-13(6-8-22)18(24)26-3/h9,13H,4-8,11H2,1-3H3