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

Systemtic Name: 2-[2-bromanyl-4-[(E)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-(1-allyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2-bromo-phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-(1-allyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2-bromo-phenoxy]acetate Formula: C16H11BrN2O5S-2 MolecularWeight: 423.23794

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)[O-])Br)C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC(=O)[O-])Br)/C(=NC1=S)[O-]

InChI

InChI=1S/C16H13BrN2O5S/c1-2-5-19-15(23)10(14(22)18-16(19)25)6-9-3-4-12(11(17)7-9)24-8-13(20)21/h2-4,6-7H,1,5,8H2,(H,20,21)(H,18,22,25)/p-2/b10-6+