2-[2-bromanyl-4-[(E)-[1-(4-ethylphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]phenoxy]ethanoate

Systemtic Name: 2-[2-bromanyl-4-[(E)-[1-(4-ethylphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[2-bromo-4-[(E)-[1-(4-ethylphenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-[1-(4-ethylphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]phenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(E)-[1-(4-ethylphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-[1-(4-ethylphenyl)-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]phenoxy]acetate Formula: C21H15BrN2O5S-2 MolecularWeight: 487.3232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)[O-])Br)C(=NC2=S)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)[O-])Br)/C(=NC2=S)[O-]

InChI

InChI=1S/C21H17BrN2O5S/c1-2-12-3-6-14(7-4-12)24-20(28)15(19(27)23-21(24)30)9-13-5-8-17(16(22)10-13)29-11-18(25)26/h3-10H,2,11H2,1H3,(H,25,26)(H,23,27,30)/p-2/b15-9+