2-[(2,6-dimethylphenoxy)methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[(2,6-dimethylphenoxy)methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(2,6-dimethylphenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(2,6-dimethylphenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(2,6-dimethylphenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(2,6-dimethylphenoxy)propionic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CSC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CSC(=O)C)C(=O)O

InChI

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