2-(ethanoylsulfanylmethyl)-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-4-benzyloxy-4-oxo-butanoic acid CAS Name: 2-[(acetylthio)methyl]-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: 2-[(acetylthio)methyl]-4-benzoxy-4-keto-butyric acid Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H16O5S/c1-10(15)20-9-12(14(17)18)7-13(16)19-8-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,17,18)