S-[2-[(1S,4R)-4-methyl-2-oxidanylidene-cyclohexyl]propan-2-yl] ethanethioate

Systemtic Name: S-[2-[(1S,4R)-4-methyl-2-oxidanylidene-cyclohexyl]propan-2-yl] ethanethioate Openeye Name: S-[1-methyl-1-[(1S,4R)-4-methyl-2-oxo-cyclohexyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(1S,4R)-4-methyl-2-oxocyclohexyl]propan-2-yl] ester IUPAC Name: S-[2-[(1S,4R)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(1S,4R)-2-keto-4-methyl-cyclohexyl]-1-methyl-ethyl] ester Formula: C12H20O2S MolecularWeight: 228.351

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1)C(C)(C)SC(=O)C

Isomeric SMILES

C[C@@H]1CC[C@@H](C(=O)C1)C(C)(C)SC(=O)C

InChI

InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10+/m1/s1