methyl 3-(2-cyano-5-methyl-cyclohexyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-cyano-5-methyl-cyclohexyl)sulfanylpropanoate Openeye Name: methyl 3-(2-cyano-5-methyl-cyclohexyl)sulfanylpropanoate CAS Name: 3-[(2-cyano-5-methylcyclohexyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-cyano-5-methylcyclohexyl)sulfanylpropanoate Traditional Name: 3-[(2-cyano-5-methyl-cyclohexyl)thio]propionic acid methyl ester Formula: C12H19NO2S MolecularWeight: 241.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)SCCC(=O)OC)C#N

Isomeric SMILES

CC1CCC(C(C1)SCCC(=O)OC)C#N

InChI

InChI=1S/C12H19NO2S/c1-9-3-4-10(8-13)11(7-9)16-6-5-12(14)15-2/h9-11H,3-7H2,1-2H3