3-[5-[(E)-[1-(4-methoxyphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]-2-methyl-benzoate

Systemtic Name: 3-[5-[(E)-[1-(4-methoxyphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]-2-methyl-benzoate Openeye Name: 3-[5-[(E)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]-2-methyl-benzoate CAS Name: 3-[5-[(E)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-2-furanyl]-2-methylbenzoate IUPAC Name: 3-[5-[(E)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]furan-2-yl]-2-methylbenzoate Traditional Name: 3-[5-[(E)-[6-keto-1-(4-methoxyphenyl)-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]-2-methyl-benzoate Formula: C24H16N2O6S-2 MolecularWeight: 460.45864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)[O-])C2=CC=C(O2)C=C3C(=NC(=S)N(C3=O)C4=CC=C(C=C4)OC)[O-]

Isomeric SMILES

CC1=C(C=CC=C1C(=O)[O-])C2=CC=C(O2)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=C(C=C4)OC)[O-]

InChI

InChI=1S/C24H18N2O6S/c1-13-17(4-3-5-18(13)23(29)30)20-11-10-16(32-20)12-19-21(27)25-24(33)26(22(19)28)14-6-8-15(31-2)9-7-14/h3-12H,1-2H3,(H,29,30)(H,25,27,33)/p-2/b19-12+