(2,6-dimethylphenyl) (2S,3R)-2,3-dimethyl-3-oxidanyl-4-(phenylmethylsulfanyl)butanoate

Systemtic Name: (2,6-dimethylphenyl) (2S,3R)-2,3-dimethyl-3-oxidanyl-4-(phenylmethylsulfanyl)butanoate Openeye Name: (2,6-dimethylphenyl) (2S,3R)-4-benzylsulfanyl-3-hydroxy-2,3-dimethyl-butanoate CAS Name: (2S,3R)-3-hydroxy-2,3-dimethyl-4-(phenylmethylthio)butanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2S,3R)-4-benzylsulfanyl-3-hydroxy-2,3-dimethylbutanoate Traditional Name: (2S,3R)-4-(benzylthio)-3-hydroxy-2,3-dimethyl-butyric acid (2,6-dimethylphenyl) ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C(C)C(C)(CSCC2=CC=CC=C2)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)[C@@H](C)[C@](C)(CSCC2=CC=CC=C2)O

InChI

InChI=1S/C21H26O3S/c1-15-9-8-10-16(2)19(15)24-20(22)17(3)21(4,23)14-25-13-18-11-6-5-7-12-18/h5-12,17,23H,13-14H2,1-4H3/t17-,21+/m1/s1