7-(6-methoxy-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-(6-methoxy-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-(6-methoxy-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-(6-methoxy-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-(6-methoxy-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-(6-methoxy-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C2N(C=CN2[NH2+]1)C3C4N(C3=O)C(=CCS4)C(=O)[O-]

Isomeric SMILES

COC1=CC=C2N(C=CN2[NH2+]1)C3C4N(C3=O)C(=CCS4)C(=O)[O-]

InChI

InChI=1S/C14H14N4O4S/c1-22-9-2-3-10-16(5-6-17(10)15-9)11-12(19)18-8(14(20)21)4-7-23-13(11)18/h2-6,11,13,15H,7H2,1H3,(H,20,21)