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

Systemtic Name: 2-[2-bromanyl-4-[(E)-[1-(4-methoxyphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[2-bromo-4-[(E)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]phenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(E)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-[6-keto-1-(4-methoxyphenyl)-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]phenoxy]acetate Formula: C20H13BrN2O6S-2 MolecularWeight: 489.29602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)[O-])Br)C(=NC2=S)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)[O-])Br)/C(=NC2=S)[O-]

InChI

InChI=1S/C20H15BrN2O6S/c1-28-13-5-3-12(4-6-13)23-19(27)14(18(26)22-20(23)30)8-11-2-7-16(15(21)9-11)29-10-17(24)25/h2-9H,10H2,1H3,(H,24,25)(H,22,26,30)/p-2/b14-8+