3-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 3-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoic acid Openeye Name: 3-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]propanoic acid CAS Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]propanoic acid IUPAC Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoic acid Traditional Name: 3-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]propionic acid Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O5S/c1-23-16-10-12(5-6-14(16)20)18-19(25-2)13-9-11(4-8-17(21)22)3-7-15(13)24-18/h3,5-7,9-10,20H,4,8H2,1-2H3,(H,21,22)