(2,6-dimethylphenyl) (2R,3S)-2-methyl-3-oxidanyl-3-(1-phenylsulfanylcyclopentyl)propanoate

Systemtic Name: (2,6-dimethylphenyl) (2R,3S)-2-methyl-3-oxidanyl-3-(1-phenylsulfanylcyclopentyl)propanoate Openeye Name: (2,6-dimethylphenyl) (2R,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclopentyl)propanoate CAS Name: (2R,3S)-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclopentyl]propanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2R,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclopentyl)propanoate Traditional Name: (2R,3S)-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclopentyl]propionic acid (2,6-dimethylphenyl) ester Formula: C23H28O3S MolecularWeight: 384.53162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C(C)C(C2(CCCC2)SC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)[C@H](C)[C@@H](C2(CCCC2)SC3=CC=CC=C3)O

InChI

InChI=1S/C23H28O3S/c1-16-10-9-11-17(2)20(16)26-22(25)18(3)21(24)23(14-7-8-15-23)27-19-12-5-4-6-13-19/h4-6,9-13,18,21,24H,7-8,14-15H2,1-3H3/t18-,21+/m1/s1