S-tert-butyl 2-(2-methyl-3-oxidanylidene-cyclohexyl)ethanethioate

Systemtic Name: S-tert-butyl 2-(2-methyl-3-oxidanylidene-cyclohexyl)ethanethioate Openeye Name: S-tert-butyl 2-(2-methyl-3-oxo-cyclohexyl)ethanethioate CAS Name: 2-(2-methyl-3-oxocyclohexyl)ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-(2-methyl-3-oxocyclohexyl)ethanethioate Traditional Name: 2-(3-keto-2-methyl-cyclohexyl)ethanethioic acid S-tert-butyl ester Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCC1=O)CC(=O)SC(C)(C)C

Isomeric SMILES

CC1C(CCCC1=O)CC(=O)SC(C)(C)C

InChI

InChI=1S/C13H22O2S/c1-9-10(6-5-7-11(9)14)8-12(15)16-13(2,3)4/h9-10H,5-8H2,1-4H3