[2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30O5S/c1-13(2)16-8-6-14(3)10-19(16)26-20(22)12-25-21(23)17-9-7-15(27-5)11-18(17)24-4/h7,9,11,13-14,16,19H,6,8,10,12H2,1-5H3/t14-,16-,19+/m1/s1