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

Systemtic Name: methyl 2-(2-cyano-5-phenyl-cyclohexyl)sulfanylethanoate Openeye Name: methyl 2-(2-cyano-5-phenyl-cyclohexyl)sulfanylacetate CAS Name: 2-[(2-cyano-5-phenylcyclohexyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-cyano-5-phenylcyclohexyl)sulfanylacetate Traditional Name: 2-[(2-cyano-5-phenyl-cyclohexyl)thio]acetic acid methyl ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2S/c1-19-16(18)11-20-15-9-13(7-8-14(15)10-17)12-5-3-2-4-6-12/h2-6,13-15H,7-9,11H2,1H3