cyclohexyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: cyclohexyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetic acid cyclohexyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)OC2CCCCC2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)OC2CCCCC2)C

InChI

InChI=1S/C16H20N2O2S/c1-11-8-12(2)18-16(14(11)9-17)21-10-15(19)20-13-6-4-3-5-7-13/h8,13H,3-7,10H2,1-2H3