(5E)-5-[[4-methoxy-3-(phenylsulfonyloxy)phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[4-methoxy-3-(phenylsulfonyloxy)phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[3-(benzenesulfonyloxy)-4-methoxy-phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[3-(benzenesulfonyloxy)-4-methoxyphenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[3-(benzenesulfonyloxy)-4-methoxyphenyl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-(3-besyloxy-4-methoxy-benzylidene)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C18H13N2O6S2- MolecularWeight: 417.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N=C2[O-])OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=S)N=C2[O-])OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O6S2/c1-25-14-8-7-11(9-13-16(21)19-18(27)20-17(13)22)10-15(14)26-28(23,24)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21,22,27)/p-1