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

Systemtic Name: 4-[[3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 4-[[3-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[3-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[3-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[3-[(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(=CC(=C1)OCC2=CC=C(C=C2)C(=O)[O-])C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

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

InChI

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