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

Systemtic Name: ethyl 2-(2-cyano-5-phenyl-cyclohexyl)sulfanylethanoate Openeye Name: ethyl 2-(2-cyano-5-phenyl-cyclohexyl)sulfanylacetate CAS Name: 2-[(2-cyano-5-phenylcyclohexyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-cyano-5-phenylcyclohexyl)sulfanylacetate Traditional Name: 2-[(2-cyano-5-phenyl-cyclohexyl)thio]acetic acid ethyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1CC(CCC1C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1CC(CCC1C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO2S/c1-2-20-17(19)12-21-16-10-14(8-9-15(16)11-18)13-6-4-3-5-7-13/h3-7,14-16H,2,8-10,12H2,1H3