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

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-methoxyphenoxy)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-methoxyphenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-methoxyphenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-methoxyphenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-methoxyphenoxy)propionic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CC(=O)SCC(COC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C13H16O5S/c1-9(14)19-8-10(13(15)16)7-18-12-5-3-11(17-2)4-6-12/h3-6,10H,7-8H2,1-2H3,(H,15,16)