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

Systemtic Name: 2-butylsulfanyl-5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 2-butylsulfanyl-5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-(butylthio)-5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 2-butylsulfanyl-5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 2-(butylthio)-6-keto-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-3-phenyl-pyrimidin-4-olate Formula: C24H23N2O6S- MolecularWeight: 467.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)[O-])C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

Isomeric SMILES

CCCCSC1=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/C24H24N2O6S/c1-4-5-13-33-24-25-21(27)18(22(28)26(24)14-9-7-6-8-10-14)19-15-11-12-16(30-2)20(31-3)17(15)23(29)32-19/h6-12,19,28H,4-5,13H2,1-3H3/p-1/t19-/m0/s1