methyl 3-(2-cyano-5-phenyl-cyclohexyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-cyano-5-phenyl-cyclohexyl)sulfanylpropanoate Openeye Name: methyl 3-(2-cyano-5-phenyl-cyclohexyl)sulfanylpropanoate CAS Name: 3-[(2-cyano-5-phenylcyclohexyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-cyano-5-phenylcyclohexyl)sulfanylpropanoate Traditional Name: 3-[(2-cyano-5-phenyl-cyclohexyl)thio]propionic acid methyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1CC(CCC1C#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC1CC(CCC1C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO2S/c1-20-17(19)9-10-21-16-11-14(7-8-15(16)12-18)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3