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

Systemtic Name: 2-[5-bromanyl-2-methoxy-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]-5-bromo-2-methoxy-phenoxy]acetate CAS Name: 2-[5-bromo-2-methoxy-4-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]acetate IUPAC Name: 2-[5-bromo-2-methoxy-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]-5-bromo-2-methoxy-phenoxy]acetate Formula: C17H13BrN2O6S-2 MolecularWeight: 453.26392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=NC(=S)N(C2=O)CC=C)[O-])Br)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/2\C(=NC(=S)N(C2=O)CC=C)[O-])Br)OCC(=O)[O-]

InChI

InChI=1S/C17H15BrN2O6S/c1-3-4-20-16(24)10(15(23)19-17(20)27)5-9-6-12(25-2)13(7-11(9)18)26-8-14(21)22/h3,5-7H,1,4,8H2,2H3,(H,21,22)(H,19,23,27)/p-2/b10-5+