ethyl 2-(2-cyano-5-ethyl-cyclohexyl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C(C1)SCC(=O)OCC)C#N

Isomeric SMILES

CCC1CCC(C(C1)SCC(=O)OCC)C#N

InChI

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