4-[[2-bromanyl-6-ethoxy-4-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-bromanyl-6-ethoxy-4-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 4-[[2-bromo-6-ethoxy-4-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-bromo-6-ethoxy-4-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[2-bromo-6-ethoxy-4-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-bromo-6-ethoxy-4-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Formula: C21H15BrN2O6S-2 MolecularWeight: 503.3226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N=C2[O-])Br)OCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=S)N=C2[O-])Br)OCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H17BrN2O6S/c1-2-29-16-9-12(7-14-18(25)23-21(31)24-19(14)26)8-15(22)17(16)30-10-11-3-5-13(6-4-11)20(27)28/h3-9H,2,10H2,1H3,(H,27,28)(H2,23,24,25,26,31)/p-2