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

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-ethylsulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-2-ethylsulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-2-(ethylthio)-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-ethylsulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 2-(ethylthio)-6-keto-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-3-phenyl-pyrimidin-4-olate Formula: C22H19N2O6S- MolecularWeight: 439.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)[O-])C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

Isomeric SMILES

CCSC1=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/C22H20N2O6S/c1-4-31-22-23-19(25)16(20(26)24(22)12-8-6-5-7-9-12)17-13-10-11-14(28-2)18(29-3)15(13)21(27)30-17/h5-11,17,26H,4H2,1-3H3/p-1/t17-/m0/s1