ethyl (2R)-3-methyl-2-[(1S,2S)-2-(4-methylphenyl)sulfinyl-1-oxidanyl-cyclohexyl]butanoate

Systemtic Name: ethyl (2R)-3-methyl-2-[(1S,2S)-2-(4-methylphenyl)sulfinyl-1-oxidanyl-cyclohexyl]butanoate Openeye Name: ethyl (2R)-2-[(1S,2S)-1-hydroxy-2-(p-tolylsulfinyl)cyclohexyl]-3-methyl-butanoate CAS Name: (2R)-2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfinylcyclohexyl]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfinylcyclohexyl]-3-methylbutanoate Traditional Name: (2R)-2-[(1S,2S)-1-hydroxy-2-(p-tolylsulfinyl)cyclohexyl]-3-methyl-butyric acid ethyl ester Formula: C20H30O4S MolecularWeight: 366.5148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)C1(CCCCC1S(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)[C@H](C(C)C)[C@]1(CCCC[C@@H]1S(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C20H30O4S/c1-5-24-19(21)18(14(2)3)20(22)13-7-6-8-17(20)25(23)16-11-9-15(4)10-12-16/h9-12,14,17-18,22H,5-8,13H2,1-4H3/t17-,18-,20+,25?/m0/s1