methyl 2-(5-tert-butyl-2-cyano-cyclohexyl)sulfanylethanoate

Systemtic Name: methyl 2-(5-tert-butyl-2-cyano-cyclohexyl)sulfanylethanoate Openeye Name: methyl 2-(5-tert-butyl-2-cyano-cyclohexyl)sulfanylacetate CAS Name: 2-[(5-tert-butyl-2-cyanocyclohexyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-tert-butyl-2-cyanocyclohexyl)sulfanylacetate Traditional Name: 2-[(5-tert-butyl-2-cyano-cyclohexyl)thio]acetic acid methyl ester Formula: C14H23NO2S MolecularWeight: 269.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)SCC(=O)OC)C#N

Isomeric SMILES

CC(C)(C)C1CCC(C(C1)SCC(=O)OC)C#N

InChI

InChI=1S/C14H23NO2S/c1-14(2,3)11-6-5-10(8-15)12(7-11)18-9-13(16)17-4/h10-12H,5-7,9H2,1-4H3