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

Systemtic Name: 5-[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-hexylsulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-2-hexylsulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-2-(hexylthio)-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hexylsulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 2-(hexylthio)-6-keto-5-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-3-phenyl-pyrimidin-4-olate Formula: C26H27N2O6S- MolecularWeight: 495.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)[O-])C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

Isomeric SMILES

CCCCCCSC1=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/C26H28N2O6S/c1-4-5-6-10-15-35-26-27-23(29)20(24(30)28(26)16-11-8-7-9-12-16)21-17-13-14-18(32-2)22(33-3)19(17)25(31)34-21/h7-9,11-14,21,30H,4-6,10,15H2,1-3H3/p-1/t21-/m0/s1