2-[2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-benzofuran-5-yl]propanoic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)-3-(methylthio)-5-benzofuranyl]propanoic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[2-(3,4-dimethoxyphenyl)-3-(methylthio)benzofuran-5-yl]propionic acid Formula: C20H20O5S MolecularWeight: 372.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(=C2SC)C3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(=C2SC)C3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C20H20O5S/c1-11(20(21)22)12-5-7-15-14(9-12)19(26-4)18(25-15)13-6-8-16(23-2)17(10-13)24-3/h5-11H,1-4H3,(H,21,22)