2-[(3,5-dimethoxyphenoxy)methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[(3,5-dimethoxyphenoxy)methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3,5-dimethoxyphenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3,5-dimethoxyphenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3,5-dimethoxyphenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3,5-dimethoxyphenoxy)propionic acid Formula: C14H18O6S MolecularWeight: 314.35412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O6S/c1-9(15)21-8-10(14(16)17)7-20-13-5-11(18-2)4-12(6-13)19-3/h4-6,10H,7-8H2,1-3H3,(H,16,17)