methyl 3-[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropanoate Openeye Name: methyl 3-[2-cyano-5-(1,1-dimethylpropyl)cyclohexyl]sulfanylpropanoate CAS Name: 3-[[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropanoate Traditional Name: 3-[(5-tert-amyl-2-cyano-cyclohexyl)thio]propionic acid methyl ester Formula: C16H27NO2S MolecularWeight: 297.45608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(C(C1)SCCC(=O)OC)C#N

Isomeric SMILES

CCC(C)(C)C1CCC(C(C1)SCCC(=O)OC)C#N

InChI

InChI=1S/C16H27NO2S/c1-5-16(2,3)13-7-6-12(11-17)14(10-13)20-9-8-15(18)19-4/h12-14H,5-10H2,1-4H3