2-(ethanoylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-methoxyphenyl)propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-9(14)18-8-11(13(15)16)7-10-3-5-12(17-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,15,16)