2-[5-methoxy-2-[[5-(4-methylsulfanylphenyl)-5-oxidanyl-2-oxidanylidene-furan-3-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-[[5-(4-methylsulfanylphenyl)-5-oxidanyl-2-oxidanylidene-furan-3-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[[5-hydroxy-5-(4-methylsulfanylphenyl)-2-oxo-3-furyl]methyl]-5-methoxy-phenoxy]acetic acid CAS Name: 2-[2-[[5-hydroxy-5-[4-(methylthio)phenyl]-2-oxo-3-furanyl]methyl]-5-methoxyphenoxy]acetic acid IUPAC Name: 2-[2-[[5-hydroxy-5-(4-methylsulfanylphenyl)-2-oxofuran-3-yl]methyl]-5-methoxyphenoxy]acetic acid Traditional Name: 2-[2-[[5-hydroxy-2-keto-5-[4-(methylthio)phenyl]-3-furyl]methyl]-5-methoxy-phenoxy]acetic acid Formula: C21H20O7S MolecularWeight: 416.4443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC2=CC(OC2=O)(C3=CC=C(C=C3)SC)O)OCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CC2=CC(OC2=O)(C3=CC=C(C=C3)SC)O)OCC(=O)O

InChI

InChI=1S/C21H20O7S/c1-26-16-6-3-13(18(10-16)27-12-19(22)23)9-14-11-21(25,28-20(14)24)15-4-7-17(29-2)8-5-15/h3-8,10-11,25H,9,12H2,1-2H3,(H,22,23)