ethyl (2S,3R)-2-methyl-2-methylsulfanyl-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: ethyl (2S,3R)-2-methyl-2-methylsulfanyl-3-oxidanyl-3-phenyl-propanoate Openeye Name: ethyl (2S,3R)-3-hydroxy-2-methyl-2-methylsulfanyl-3-phenyl-propanoate CAS Name: (2S,3R)-3-hydroxy-2-methyl-2-(methylthio)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-hydroxy-2-methyl-2-methylsulfanyl-3-phenylpropanoate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-2-(methylthio)-3-phenyl-propionic acid ethyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-4-16-12(15)13(2,17-3)11(14)10-8-6-5-7-9-10/h5-9,11,14H,4H2,1-3H3/t11-,13+/m1/s1