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

Systemtic Name: 2-(ethanoylsulfanylmethyl)-4-(4-methoxyphenyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)butanoic acid CAS Name: 2-[(acetylthio)methyl]-4-(4-methoxyphenyl)butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)butanoic acid Traditional Name: 2-[(acetylthio)methyl]-4-(4-methoxyphenyl)butyric acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-10(15)19-9-12(14(16)17)6-3-11-4-7-13(18-2)8-5-11/h4-5,7-8,12H,3,6,9H2,1-2H3,(H,16,17)