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

Systemtic Name: 2-[2-bromanyl-4-[(Z)-[1-(4-methylphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[2-bromo-4-[(Z)-[4-oxido-6-oxo-1-(p-tolyl)-2-thioxo-pyrimidin-5-ylidene]methyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(Z)-[1-(4-methylphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]phenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(Z)-[1-(4-methylphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(Z)-[6-keto-4-oxido-1-(p-tolyl)-2-thioxo-pyrimidin-5-ylidene]methyl]phenoxy]acetate Formula: C20H13BrN2O5S-2 MolecularWeight: 473.29662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)[O-])Br)C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OCC(=O)[O-])Br)/C(=NC2=S)[O-]

InChI

InChI=1S/C20H15BrN2O5S/c1-11-2-5-13(6-3-11)23-19(27)14(18(26)22-20(23)29)8-12-4-7-16(15(21)9-12)28-10-17(24)25/h2-9H,10H2,1H3,(H,24,25)(H,22,26,29)/p-2/b14-8-