7-methyl-7-(6-methylsulfanyl-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-methyl-7-(6-methylsulfanyl-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-methyl-7-(6-methylsulfanyl-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-methyl-7-[6-(methylthio)-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-methyl-7-(6-methylsulfanyl-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-methyl-7-[6-(methylthio)-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])N3C=CN4C3=CC=C([NH2+]4)SC

Isomeric SMILES

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])N3C=CN4C3=CC=C([NH2+]4)SC

InChI

InChI=1S/C15H16N4O3S2/c1-15(13(22)19-9(12(20)21)5-8-24-14(15)19)17-6-7-18-11(17)4-3-10(16-18)23-2/h3-7,14,16H,8H2,1-2H3,(H,20,21)