3-[[2-methoxy-4-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: 3-[[2-methoxy-4-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 3-[[2-methoxy-4-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 3-[[2-methoxy-4-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[2-methoxy-4-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 3-[[4-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoate Formula: C20H14N2O6S-2 MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N=C2[O-])OCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N=C2[O-])OCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C20H16N2O6S/c1-27-16-9-11(8-14-17(23)21-20(29)22-18(14)24)5-6-15(16)28-10-12-3-2-4-13(7-12)19(25)26/h2-9H,10H2,1H3,(H,25,26)(H2,21,22,23,24,29)/p-2