5-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-1-phenyl-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-1-phenyl-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-1-phenyl-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-1-phenyl-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[(E)-(6-keto-4-oxido-1-phenyl-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]isophthalate Formula: C25H16N3O6S-3 MolecularWeight: 486.47604

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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(=NC(=S)N(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H19N3O6S/c1-13-8-15(14(2)27(13)19-10-16(23(31)32)9-17(11-19)24(33)34)12-20-21(29)26-25(35)28(22(20)30)18-6-4-3-5-7-18/h3-12H,1-2H3,(H,31,32)(H,33,34)(H,26,29,35)/p-3/b20-12+