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

Systemtic Name: 2-[5-[(E)-[1-(4-methylphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Openeye Name: 2-[5-[(E)-[4-oxido-6-oxo-1-(p-tolyl)-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate CAS Name: 2-[5-[(E)-[1-(4-methylphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-2-furanyl]benzoate IUPAC Name: 2-[5-[(E)-[1-(4-methylphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(E)-[6-keto-4-oxido-1-(p-tolyl)-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]benzoate Formula: C23H14N2O5S-2 MolecularWeight: 430.43266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C23H16N2O5S/c1-13-6-8-14(9-7-13)25-21(27)18(20(26)24-23(25)31)12-15-10-11-19(30-15)16-4-2-3-5-17(16)22(28)29/h2-12H,1H3,(H,28,29)(H,24,26,31)/p-2/b18-12+