2-(ethanoylsulfanylmethyl)-3-phenyl-butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-phenyl-butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-phenyl-butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-phenylbutanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-phenylbutanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-phenyl-butyric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C13H16O3S/c1-9(11-6-4-3-5-7-11)12(13(15)16)8-17-10(2)14/h3-7,9,12H,8H2,1-2H3,(H,15,16)