2-(ethanoylsulfanylmethyl)-4-phenyl-butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-4-phenyl-butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-4-phenyl-butanoic acid CAS Name: 2-[(acetylthio)methyl]-4-phenylbutanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-4-phenylbutanoic acid Traditional Name: 2-[(acetylthio)methyl]-4-phenyl-butyric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCC(CCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16O3S/c1-10(14)17-9-12(13(15)16)8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,16)