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

Systemtic Name: ethyl 5-cyano-6-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(4-ethoxycarbonyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(4-carbethoxypiperidino)-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C20H25N3O5S/c1-4-27-19(25)14-6-8-23(9-7-14)17(24)12-29-18-15(11-21)10-16(13(3)22-18)20(26)28-5-2/h10,14H,4-9,12H2,1-3H3