[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[2-(phenylcarbonylsulfanyl)ethanoyloxy]ethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[2-(phenylcarbonylsulfanyl)ethanoyloxy]ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-benzoylsulfanylacetyl)oxyacetate CAS Name: 2-[2-(benzoylthio)-1-oxoethoxy]acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-benzoylsulfanylacetyl)oxyacetate Traditional Name: 2-[2-(benzoylthio)acetyl]oxyacetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H28O5S MolecularWeight: 392.50902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)CSC(=O)C2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)CSC(=O)C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H28O5S/c1-14(2)17-10-9-15(3)11-18(17)26-19(22)12-25-20(23)13-27-21(24)16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3/t15-,17+,18-/m0/s1