methyl 2-(2-cyano-5-propyl-cyclohexyl)sulfanylethanoate

Systemtic Name: methyl 2-(2-cyano-5-propyl-cyclohexyl)sulfanylethanoate Openeye Name: methyl 2-(2-cyano-5-propyl-cyclohexyl)sulfanylacetate CAS Name: 2-[(2-cyano-5-propylcyclohexyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-cyano-5-propylcyclohexyl)sulfanylacetate Traditional Name: 2-[(2-cyano-5-propyl-cyclohexyl)thio]acetic acid methyl ester Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(C(C1)SCC(=O)OC)C#N

Isomeric SMILES

CCCC1CCC(C(C1)SCC(=O)OC)C#N

InChI

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