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

Systemtic Name: 3-[5-[(E)-[1-(4-carboxylatophenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]furan-2-yl]-4-methyl-benzoate Openeye Name: 3-[5-[(E)-[1-(4-carboxylatophenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]-4-methyl-benzoate CAS Name: 3-[5-[(E)-[1-(4-carboxylatophenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-2-furanyl]-4-methylbenzoate IUPAC Name: 3-[5-[(E)-[1-(4-carboxylatophenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]furan-2-yl]-4-methylbenzoate Traditional Name: 3-[5-[(E)-[1-(4-carboxylatophenyl)-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]-2-furyl]-4-methyl-benzoate Formula: C24H13N2O7S-3 MolecularWeight: 473.43422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])C2=CC=C(O2)C=C3C(=NC(=S)N(C3=O)C4=CC=C(C=C4)C(=O)[O-])[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])C2=CC=C(O2)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=C(C=C4)C(=O)[O-])[O-]

InChI

InChI=1S/C24H16N2O7S/c1-12-2-3-14(23(31)32)10-17(12)19-9-8-16(33-19)11-18-20(27)25-24(34)26(21(18)28)15-6-4-13(5-7-15)22(29)30/h2-11H,1H3,(H,29,30)(H,31,32)(H,25,27,34)/p-3/b18-11+