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

Systemtic Name: 4-[5-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]benzoate Formula: C16H8N2O5S-2 MolecularWeight: 340.31012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=S)N=C3[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N=C3[O-])C(=O)[O-]

InChI

InChI=1S/C16H10N2O5S/c19-13-11(14(20)18-16(24)17-13)7-10-5-6-12(23-10)8-1-3-9(4-2-8)15(21)22/h1-7H,(H,21,22)(H2,17,18,19,20,24)/p-2