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

Systemtic Name: methyl 3-(2-cyano-5-ethyl-cyclohexyl)sulfanylpropanoate Openeye Name: methyl 3-(2-cyano-5-ethyl-cyclohexyl)sulfanylpropanoate CAS Name: 3-[(2-cyano-5-ethylcyclohexyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-cyano-5-ethylcyclohexyl)sulfanylpropanoate Traditional Name: 3-[(2-cyano-5-ethyl-cyclohexyl)thio]propionic acid methyl ester Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C(C1)SCCC(=O)OC)C#N

Isomeric SMILES

CCC1CCC(C(C1)SCCC(=O)OC)C#N

InChI

InChI=1S/C13H21NO2S/c1-3-10-4-5-11(9-14)12(8-10)17-7-6-13(15)16-2/h10-12H,3-8H2,1-2H3