methyl 2-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]benzoate

Systemtic Name: methyl 2-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]benzoate Openeye Name: methyl 2-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[(5,6,7-trimethoxy-3-oxo-1H-2-benzofuran-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-keto-5,6,7-trimethoxy-phthalan-4-yl)methylthio]benzoic acid methyl ester Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=CC=CC=C3C(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=CC=CC=C3C(=O)OC)OC)OC

InChI

InChI=1S/C20H20O7S/c1-23-16-12-9-27-20(22)15(12)13(17(24-2)18(16)25-3)10-28-14-8-6-5-7-11(14)19(21)26-4/h5-8H,9-10H2,1-4H3