7-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 7-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Openeye Name: 7-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one CAS Name: 7-[[(5,6-dimethoxy-1H-benzimidazol-2-yl)thio]methyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one IUPAC Name: 7-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Traditional Name: 7-[[(5,6-dimethoxy-1H-benzimidazol-2-yl)thio]methyl]-4,5,6-trimethoxy-phthalide Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)NC(=N2)SCC3=C(C(=C(C4=C3C(=O)OC4)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)NC(=N2)SCC3=C(C(=C(C4=C3C(=O)OC4)OC)OC)OC)OC

InChI

InChI=1S/C21H22N2O7S/c1-25-14-6-12-13(7-15(14)26-2)23-21(22-12)31-9-11-16-10(8-30-20(16)24)17(27-3)19(29-5)18(11)28-4/h6-7H,8-9H2,1-5H3,(H,22,23)