ethyl 1-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-cyano-6-methylsulfanyl-2-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[5-cyano-6-(methylthio)-2-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-cyano-6-methylsulfanylpyridin-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-cyano-6-(methylthio)-2-pyridyl]methyl]isonipecotic acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=NC(=C(C=C2)C#N)SC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=NC(=C(C=C2)C#N)SC

InChI

InChI=1S/C16H21N3O2S/c1-3-21-16(20)12-6-8-19(9-7-12)11-14-5-4-13(10-17)15(18-14)22-2/h4-5,12H,3,6-9,11H2,1-2H3