5-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-1-(4-methylphenyl)-2-sulfanylidene-pyrimidine-4,6-diolate

Systemtic Name: 5-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-1-(4-methylphenyl)-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 5-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-1-(p-tolyl)-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-1-(4-methylphenyl)-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 5-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-1-(4-methylphenyl)-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]-1-(p-tolyl)-2-thioxo-pyrimidine-4,6-diolate Formula: C21H16N2O6S-2 MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=NC2=S)[O-])C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=NC2=S)[O-])[C@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)[O-]

InChI

InChI=1S/C21H18N2O6S/c1-10-4-6-11(7-5-10)23-19(25)15(18(24)22-21(23)30)16-12-8-9-13(27-2)17(28-3)14(12)20(26)29-16/h4-9,16,25H,1-3H3,(H,22,24,30)/p-2/t16-/m1/s1