5-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: 5-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: 5-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]isophthalate Formula: C19H12N3O6S-3 MolecularWeight: 410.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C)C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C)/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C19H15N3O6S/c1-8-3-10(7-14-15(23)20-19(29)21-16(14)24)9(2)22(8)13-5-11(17(25)26)4-12(6-13)18(27)28/h3-7H,1-2H3,(H,25,26)(H,27,28)(H2,20,21,23,24,29)/p-3