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

Systemtic Name: ethyl (2S,3S)-3-methyl-2-oxidanyl-4-oxidanylidene-4-(phenylmethylsulfanyl)butanoate Openeye Name: ethyl (2S,3S)-4-benzylsulfanyl-2-hydroxy-3-methyl-4-oxo-butanoate CAS Name: (2S,3S)-2-hydroxy-3-methyl-4-oxo-4-(phenylmethylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-4-benzylsulfanyl-2-hydroxy-3-methyl-4-oxobutanoate Traditional Name: (2S,3S)-4-(benzylthio)-2-hydroxy-4-keto-3-methyl-butyric acid ethyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C(=O)SCC1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C)C(=O)SCC1=CC=CC=C1)O

InChI

InChI=1S/C14H18O4S/c1-3-18-13(16)12(15)10(2)14(17)19-9-11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3/t10-,12-/m0/s1