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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)CCC(=O)O)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)CCC(=O)O)SC)OC

InChI

InChI=1S/C20H20O5S/c1-23-16-8-6-13(11-17(16)24-2)19-20(26-3)14-10-12(5-9-18(21)22)4-7-15(14)25-19/h4,6-8,10-11H,5,9H2,1-3H3,(H,21,22)