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

Systemtic Name: 3-[[3-methoxy-4-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 3-[[3-methoxy-4-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 3-[[3-methoxy-4-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[3-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]-3-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)OCC2=CC=CC(=C2)C(=O)[O-])C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=O)[O-])/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

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