O-[2-(4-methyl-5-oxidanylidene-cyclohex-3-en-1-yl)propyl] ethanethioate

Systemtic Name: O-[2-(4-methyl-5-oxidanylidene-cyclohex-3-en-1-yl)propyl] ethanethioate Openeye Name: O-[2-(4-methyl-5-oxo-cyclohex-3-en-1-yl)propyl] ethanethioate CAS Name: ethanethioic acid O-[2-(4-methyl-5-oxo-1-cyclohex-3-enyl)propyl] ester IUPAC Name: O-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propyl] ethanethioate Traditional Name: ethanethioic acid O-[2-(5-keto-4-methyl-cyclohex-3-en-1-yl)propyl] ester Formula: C12H18O2S MolecularWeight: 226.33512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1=O)C(C)COC(=S)C

Isomeric SMILES

CC1=CCC(CC1=O)C(C)COC(=S)C

InChI

InChI=1S/C12H18O2S/c1-8-4-5-11(6-12(8)13)9(2)7-14-10(3)15/h4,9,11H,5-7H2,1-3H3