ethyl (2R,3S)-3-methyl-2-oxidanyl-4-oxidanylidene-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl (2R,3S)-3-methyl-2-oxidanyl-4-oxidanylidene-4-phenylsulfanyl-butanoate Openeye Name: ethyl (2R,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylsulfanyl-butanoate CAS Name: (2R,3S)-2-hydroxy-3-methyl-4-oxo-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylsulfanylbutanoate Traditional Name: (2R,3S)-2-hydroxy-4-keto-3-methyl-4-(phenylthio)butyric acid ethyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-3-17-12(15)11(14)9(2)13(16)18-10-7-5-4-6-8-10/h4-9,11,14H,3H2,1-2H3/t9-,11+/m0/s1