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

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-phenylmethoxyphenoxy)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-benzyloxyphenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-phenylmethoxyphenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-phenylmethoxyphenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-benzoxyphenoxy)propionic acid Formula: C19H20O5S MolecularWeight: 360.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(COC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H20O5S/c1-14(20)25-13-16(19(21)22)12-24-18-9-7-17(8-10-18)23-11-15-5-3-2-4-6-15/h2-10,16H,11-13H2,1H3,(H,21,22)