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

Systemtic Name: methyl 3-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoate Openeye Name: methyl 3-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]propanoate CAS Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoate Traditional Name: 3-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]propionic acid methyl ester Formula: C20H20O5S MolecularWeight: 372.4348

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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)OC)SC)O

Isomeric SMILES

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

InChI

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