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

Systemtic Name: 4-[2-[(E)-[1-(3-ethoxyphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2-[(E)-[1-(3-ethoxyphenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2-[(E)-[1-(3-ethoxyphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2-[(E)-[1-(3-ethoxyphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2-[(E)-(6-keto-1-m-phenetyl-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Formula: C24H17N3O5S-2 MolecularWeight: 459.47388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)/C(=C/C3=CC=CN3C4=CC=C(C=C4)C(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C24H19N3O5S/c1-2-32-19-7-3-5-18(13-19)27-22(29)20(21(28)25-24(27)33)14-17-6-4-12-26(17)16-10-8-15(9-11-16)23(30)31/h3-14H,2H2,1H3,(H,30,31)(H,25,28,33)/p-2/b20-14+