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

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-6-oxidanylidene-3-phenyl-2-propylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-oxo-3-phenyl-2-propylsulfanyl-pyrimidin-4-olate CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-oxo-3-phenyl-2-(propylthio)-4-pyrimidinolate IUPAC Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-oxo-3-phenyl-2-propylsulfanylpyrimidin-4-olate Traditional Name: 6-keto-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-3-phenyl-2-(propylthio)pyrimidin-4-olate Formula: C23H21N2O6S- MolecularWeight: 453.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)[O-])C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

Isomeric SMILES

CCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)[O-])[C@@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

InChI

InChI=1S/C23H22N2O6S/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/h5-11,18,27H,4,12H2,1-3H3/p-1/t18-/m0/s1