2-(ethanoylsulfanylmethyl)-3-(2-methylphenoxy)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CSC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CSC(=O)C)C(=O)O

InChI

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