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

Systemtic Name: methyl 2-[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylethanoate Openeye Name: methyl 2-[2-cyano-5-(1,1-dimethylpropyl)cyclohexyl]sulfanylacetate CAS Name: 2-[[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-cyano-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylacetate Traditional Name: 2-[(5-tert-amyl-2-cyano-cyclohexyl)thio]acetic acid methyl ester Formula: C15H25NO2S MolecularWeight: 283.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2S/c1-5-15(2,3)12-7-6-11(9-16)13(8-12)19-10-14(17)18-4/h11-13H,5-8,10H2,1-4H3