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

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-6-oxidanylidene-3-phenyl-2-prop-2-enylsulfanyl-pyrimidin-4-olate Openeye Name: 2-allylsulfanyl-5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-oxo-3-phenyl-2-(prop-2-enylthio)-4-pyrimidinolate IUPAC Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-oxo-3-phenyl-2-prop-2-enylsulfanylpyrimidin-4-olate Traditional Name: 2-(allylthio)-6-keto-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-3-phenyl-pyrimidin-4-olate Formula: C23H19N2O6S- MolecularWeight: 451.47176

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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)SCC=C)C4=CC=CC=C4)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O6S/c1-4-12-32-23-24-20(26)17(21(27)25(23)13-8-6-5-7-9-13)18-14-10-11-15(29-2)19(30-3)16(14)22(28)31-18/h4-11,18,27H,1,12H2,2-3H3/p-1/t18-/m0/s1