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

Systemtic Name: ethyl 5-cyano-6-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CC(CC(C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CC(CC(C2)C)C)C

InChI

InChI=1S/C19H25N3O3S/c1-5-25-19(24)16-7-15(8-20)18(21-14(16)4)26-11-17(23)22-9-12(2)6-13(3)10-22/h7,12-13H,5-6,9-11H2,1-4H3