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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-4-24-18(23)15-9-14(10-19)17(20-13(15)3)25-11-16(22)21-7-5-12(2)6-8-21/h9,12H,4-8,11H2,1-3H3