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

Systemtic Name: 4-[[2-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 4-[[2-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[2-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Formula: C19H12N2O5S-2 MolecularWeight: 380.37398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O5S/c22-16-14(17(23)21-19(27)20-16)9-13-3-1-2-4-15(13)26-10-11-5-7-12(8-6-11)18(24)25/h1-9H,10H2,(H,24,25)(H2,20,21,22,23,27)/p-2