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

Systemtic Name: ethyl (2R)-3,3-dimethyl-2-[(1S,2S)-2-(4-methylphenyl)sulfinyl-1-oxidanyl-cyclohexyl]butanoate Openeye Name: ethyl (2R)-2-[(1S,2S)-1-hydroxy-2-(p-tolylsulfinyl)cyclohexyl]-3,3-dimethyl-butanoate CAS Name: (2R)-2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfinylcyclohexyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfinylcyclohexyl]-3,3-dimethylbutanoate Traditional Name: (2R)-2-[(1S,2S)-1-hydroxy-2-(p-tolylsulfinyl)cyclohexyl]-3,3-dimethyl-butyric acid ethyl ester Formula: C21H32O4S MolecularWeight: 380.54138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4S/c1-6-25-19(22)18(20(3,4)5)21(23)14-8-7-9-17(21)26(24)16-12-10-15(2)11-13-16/h10-13,17-18,23H,6-9,14H2,1-5H3/t17-,18+,21+,26?/m0/s1