(2,6-dimethylphenyl) (2S,3R)-2-methyl-3-oxidanyl-3-(4-phenylsulfanylthian-4-yl)propanoate

Systemtic Name: (2,6-dimethylphenyl) (2S,3R)-2-methyl-3-oxidanyl-3-(4-phenylsulfanylthian-4-yl)propanoate Openeye Name: (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-2-methyl-3-(4-phenylsulfanyltetrahydrothiopyran-4-yl)propanoate CAS Name: (2S,3R)-3-hydroxy-2-methyl-3-[4-(phenylthio)-4-thianyl]propanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-2-methyl-3-(4-phenylsulfanylthian-4-yl)propanoate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-3-[4-(phenylthio)tetrahydrothiopyran-4-yl]propionic acid (2,6-dimethylphenyl) ester Formula: C23H28O3S2 MolecularWeight: 416.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C(C)C(C2(CCSCC2)SC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)[C@@H](C)[C@H](C2(CCSCC2)SC3=CC=CC=C3)O

InChI

InChI=1S/C23H28O3S2/c1-16-8-7-9-17(2)20(16)26-22(25)18(3)21(24)23(12-14-27-15-13-23)28-19-10-5-4-6-11-19/h4-11,18,21,24H,12-15H2,1-3H3/t18-,21+/m0/s1