ethyl 1-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]nipecotic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C18H23N3O3S/c1-4-24-18(23)14-6-5-7-21(10-14)16(22)11-25-17-15(9-19)12(2)8-13(3)20-17/h8,14H,4-7,10-11H2,1-3H3