4-[[2-[(E)-(1-methyl-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-[(E)-(1-methyl-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 4-[[2-[(E)-(1-methyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-(1-methyl-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[2-[(E)-(1-methyl-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-(6-keto-1-methyl-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Formula: C20H14N2O5S-2 MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)[O-])C(=NC1=S)[O-]

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)[O-])/C(=NC1=S)[O-]

InChI

InChI=1S/C20H16N2O5S/c1-22-18(24)15(17(23)21-20(22)28)10-14-4-2-3-5-16(14)27-11-12-6-8-13(9-7-12)19(25)26/h2-10H,11H2,1H3,(H,25,26)(H,21,23,28)/p-2/b15-10+