5-(6,7-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(6,7-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(6,7-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(6,7-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(6,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-keto-6,7-dimethoxy-phthalan-1-yl)-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C26H20N2O6S MolecularWeight: 488.5118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)OC2C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)OC2C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H20N2O6S/c1-32-18-14-13-17-19(21(18)33-2)22(34-25(17)31)20-23(29)27(15-9-5-3-6-10-15)26(35)28(24(20)30)16-11-7-4-8-12-16/h3-14,20,22H,1-2H3