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

Systemtic Name: cyclohexyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: cyclohexyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionic acid cyclohexyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-11-9-12(2)19-16(15(11)10-18)22-13(3)17(20)21-14-7-5-4-6-8-14/h9,13-14H,4-8H2,1-3H3