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

Systemtic Name: 2-[2-bromanyl-4-[(E)-(1-methyl-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]ethanoate Openeye Name: 2-[2-bromo-4-[(E)-(1-methyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-(1-methyl-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(E)-(1-methyl-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-(6-keto-1-methyl-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]acetate Formula: C14H9BrN2O5S-2 MolecularWeight: 397.20066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)[O-])Br)C(=NC1=S)[O-]

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC(=O)[O-])Br)/C(=NC1=S)[O-]

InChI

InChI=1S/C14H11BrN2O5S/c1-17-13(21)8(12(20)16-14(17)23)4-7-2-3-10(9(15)5-7)22-6-11(18)19/h2-5H,6H2,1H3,(H,18,19)(H,16,20,23)/p-2/b8-4+