S-methyl (2S,3S)-2-methyl-3-oxidanyl-3-[4-(trifluoromethyl)phenyl]propanethioate

Systemtic Name: S-methyl (2S,3S)-2-methyl-3-oxidanyl-3-[4-(trifluoromethyl)phenyl]propanethioate Openeye Name: S-methyl (2S,3S)-3-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propanethioate CAS Name: (2S,3S)-3-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propanethioic acid S-methyl ester IUPAC Name: S-methyl (2S,3S)-3-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propanethioate Traditional Name: (2S,3S)-3-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propanethioic acid S-methyl ester Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)C(F)(F)F)O)C(=O)SC

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=C(C=C1)C(F)(F)F)O)C(=O)SC

InChI

InChI=1S/C12H13F3O2S/c1-7(11(17)18-2)10(16)8-3-5-9(6-4-8)12(13,14)15/h3-7,10,16H,1-2H3/t7-,10-/m0/s1