ethyl 5-cyano-2-methyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-keto-2-piperidino-ethyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCCCC2)C

InChI

InChI=1S/C17H21N3O3S/c1-3-23-17(22)14-9-13(10-18)16(19-12(14)2)24-11-15(21)20-7-5-4-6-8-20/h9H,3-8,11H2,1-2H3