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

Systemtic Name: 2-methoxy-5-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]benzoate Openeye Name: 2-methoxy-5-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]benzoate CAS Name: 2-methoxy-5-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]benzoate IUPAC Name: 2-methoxy-5-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]benzoate Traditional Name: 5-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2-methoxy-benzoate Formula: C13H8N2O5S-2 MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O5S/c1-20-9-3-2-6(4-7(9)12(18)19)5-8-10(16)14-13(21)15-11(8)17/h2-5H,1H3,(H,18,19)(H2,14,15,16,17,21)/p-2