4-[5-[(E)-[1-(4-methoxyphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[(E)-[1-(4-methoxyphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-[6-keto-1-(4-methoxyphenyl)-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate Formula: C23H14N2O6S-2 MolecularWeight: 446.43206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C23H16N2O6S/c1-30-16-8-6-15(7-9-16)25-21(27)18(20(26)24-23(25)32)12-17-10-11-19(31-17)13-2-4-14(5-3-13)22(28)29/h2-12H,1H3,(H,28,29)(H,24,26,32)/p-2/b18-12+