methyl 2-ethanoylsulfanyl-3-phenyl-propanoate

Systemtic Name: methyl 2-ethanoylsulfanyl-3-phenyl-propanoate Openeye Name: methyl 2-acetylsulfanyl-3-phenyl-propanoate CAS Name: 2-(acetylthio)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-acetylsulfanyl-3-phenylpropanoate Traditional Name: 2-(acetylthio)-3-phenyl-propionic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)SC(CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C12H14O3S/c1-9(13)16-11(12(14)15-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3