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

Systemtic Name: 7-(6-ethoxy-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(6-ethoxy-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(6-ethoxy-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-(6-ethoxy-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(6-ethoxy-5H-imidazo[1,2-b]pyridazin-5-ium-1-yl)-8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C2N(C=CN2[NH2+]1)C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C

Isomeric SMILES

CCOC1=CC=C2N(C=CN2[NH2+]1)C3(C4N(C3=O)C(=CCS4)C(=O)[O-])C

InChI

InChI=1S/C16H18N4O4S/c1-3-24-11-4-5-12-18(7-8-19(12)17-11)16(2)14(23)20-10(13(21)22)6-9-25-15(16)20/h4-8,15,17H,3,9H2,1-2H3,(H,21,22)