(2,6-dimethylphenyl) (2S,3R)-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methyl-3-oxidanyl-propanoate

Systemtic Name: (2,6-dimethylphenyl) (2S,3R)-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methyl-3-oxidanyl-propanoate Openeye Name: (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methyl-propanoate CAS Name: (2S,3R)-3-hydroxy-3-[1-[(4-methoxyphenyl)thio]cyclohexyl]-2-methylpropanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methylpropanoate Traditional Name: (2S,3R)-3-hydroxy-3-[1-[(4-methoxyphenyl)thio]cyclohexyl]-2-methyl-propionic acid (2,6-dimethylphenyl) ester Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C(C)C(C2(CCCCC2)SC3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)[C@@H](C)[C@H](C2(CCCCC2)SC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C25H32O4S/c1-17-9-8-10-18(2)22(17)29-24(27)19(3)23(26)25(15-6-5-7-16-25)30-21-13-11-20(28-4)12-14-21/h8-14,19,23,26H,5-7,15-16H2,1-4H3/t19-,23+/m0/s1