diethyl (1S,2R,3R,4S)-4-methyl-2-(4-methylsulfanylphenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1S,2R,3R,4S)-4-methyl-2-(4-methylsulfanylphenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2R,3R,4S)-4-hydroxy-4-methyl-2-(4-methylsulfanylphenyl)-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-4-hydroxy-4-methyl-2-[4-(methylthio)phenyl]-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2R,3R,4S)-4-hydroxy-4-methyl-2-(4-methylsulfanylphenyl)-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-4-hydroxy-6-keto-4-methyl-2-[4-(methylthio)phenyl]cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C20H26O6S MolecularWeight: 394.48184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H26O6S/c1-5-25-18(22)16-14(21)11-20(3,24)17(19(23)26-6-2)15(16)12-7-9-13(27-4)10-8-12/h7-10,15-17,24H,5-6,11H2,1-4H3/t15-,16+,17-,20-/m0/s1