methyl (2R,3S)-2-methyl-3-phenylsulfanyl-butanoate

Systemtic Name: methyl (2R,3S)-2-methyl-3-phenylsulfanyl-butanoate Openeye Name: methyl (2R,3S)-2-methyl-3-phenylsulfanyl-butanoate CAS Name: (2R,3S)-2-methyl-3-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-methyl-3-phenylsulfanylbutanoate Traditional Name: (2R,3S)-2-methyl-3-(phenylthio)butyric acid methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)SC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

C[C@@H]([C@H](C)SC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C12H16O2S/c1-9(12(13)14-3)10(2)15-11-7-5-4-6-8-11/h4-10H,1-3H3/t9-,10-/m0/s1