methyl 3-(2-oxidanyl-2-phenyl-ethanoyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-oxidanyl-2-phenyl-ethanoyl)sulfanylpropanoate Openeye Name: methyl 3-(2-hydroxy-2-phenyl-acetyl)sulfanylpropanoate CAS Name: 3-[(2-hydroxy-1-oxo-2-phenylethyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-hydroxy-2-phenylacetyl)sulfanylpropanoate Traditional Name: 3-(mandeloylthio)propionic acid methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=O)C(C1=CC=CC=C1)O

Isomeric SMILES

COC(=O)CCSC(=O)C(C1=CC=CC=C1)O

InChI

InChI=1S/C12H14O4S/c1-16-10(13)7-8-17-12(15)11(14)9-5-3-2-4-6-9/h2-6,11,14H,7-8H2,1H3