methyl 2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: methyl 2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoate Openeye Name: methyl 2-acetylsulfanyl-4-oxo-4-phenyl-butanoate CAS Name: 2-(acetylthio)-4-oxo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-acetylsulfanyl-4-oxo-4-phenylbutanoate Traditional Name: 2-(acetylthio)-4-keto-4-phenyl-butyric acid methyl ester Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4S/c1-9(14)18-12(13(16)17-2)8-11(15)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3