5-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-methylsulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 5-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-methylsulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-2-methylsulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-2-(methylthio)-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-methylsulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 6-keto-5-[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]-2-(methylthio)-3-phenyl-pyrimidin-4-olate Formula: C21H17N2O6S- MolecularWeight: 425.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=NC3=O)SC)C4=CC=CC=C4)[O-])OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@@H](OC2=O)C3=C(N(C(=NC3=O)SC)C4=CC=CC=C4)[O-])OC

InChI

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