2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-phenoxy]ethanoate

Systemtic Name: 2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-phenoxy]ethanoate Openeye Name: 2-[2-bromo-4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetate Formula: C13H8BrN2O5S- MolecularWeight: 384.18202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)Br)OCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)Br)OCC(=O)[O-]

InChI

InChI=1S/C13H9BrN2O5S/c14-8-4-6(1-2-9(8)21-5-10(17)18)3-7-11(19)15-13(22)16-12(7)20/h1-4H,5H2,(H,17,18)(H2,15,16,19,20,22)/p-1