methyl 3-(5-tert-butyl-2-cyano-cyclohexyl)sulfanylpropanoate

Systemtic Name: methyl 3-(5-tert-butyl-2-cyano-cyclohexyl)sulfanylpropanoate Openeye Name: methyl 3-(5-tert-butyl-2-cyano-cyclohexyl)sulfanylpropanoate CAS Name: 3-[(5-tert-butyl-2-cyanocyclohexyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-tert-butyl-2-cyanocyclohexyl)sulfanylpropanoate Traditional Name: 3-[(5-tert-butyl-2-cyano-cyclohexyl)thio]propionic acid methyl ester Formula: C15H25NO2S MolecularWeight: 283.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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