ethyl 2-[(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-oxidanyl-2-propan-2-ylsulfanyl-cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-oxidanyl-2-propan-2-ylsulfanyl-cyclohexyl]ethanoate Openeye Name: ethyl 2-[(1R)-1-hydroxy-2-isopropylsulfanyl-2-[(R)-p-tolylsulfinyl]cyclohexyl]acetate CAS Name: 2-[(1R)-1-hydroxy-2-[(R)-(4-methylphenyl)sulfinyl]-2-(propan-2-ylthio)cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1R)-1-hydroxy-2-[(R)-(4-methylphenyl)sulfinyl]-2-propan-2-ylsulfanylcyclohexyl]acetate Traditional Name: 2-[(1R)-1-hydroxy-2-(isopropylthio)-2-[(R)-p-tolylsulfinyl]cyclohexyl]acetic acid ethyl ester Formula: C20H30O4S2 MolecularWeight: 398.5798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCCC1(SC(C)C)S(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)C[C@@]1(CCCCC1(SC(C)C)[S@](=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C20H30O4S2/c1-5-24-18(21)14-19(22)12-6-7-13-20(19,25-15(2)3)26(23)17-10-8-16(4)9-11-17/h8-11,15,22H,5-7,12-14H2,1-4H3/t19-,20?,26-/m1/s1