(6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(methoxymethoxyimino)ethanoyl]amino]-3-[(3-formamidoimidazo[1,2-b]pyridazin-4-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(methoxymethoxyimino)ethanoyl]amino]-3-[(3-formamidoimidazo[1,2-b]pyridazin-4-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxymethoxyimino)acetyl]amino]-3-[(3-formamidoimidazo[1,2-b]pyridazin-4-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxymethoxyimino)-1-oxoethyl]amino]-3-[(3-formamido-1-imidazo[1,2-b]pyridazin-4-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxymethoxyimino)acetyl]amino]-3-[(3-formamidoimidazo[1,2-b]pyridazin-4-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxymethyloximino)acetyl]amino]-3-[(3-formamidoimidazo[1,2-b]pyridazin-4-ium-1-yl)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H20N10O7S2 MolecularWeight: 588.5763

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Descriptors Computed from Structure

Canonical SMILES:

COCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4C=C([N+]5=C4C=CC=N5)NC=O)C(=O)[O-]

Isomeric SMILES

COCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN4C=C([N+]5=C4C=CC=N5)NC=O)C(=O)[O-]

InChI

InChI=1S/C21H20N10O7S2/c1-37-9-38-27-13(16-26-21(22)40-28-16)17(33)25-14-18(34)30-15(20(35)36)10(7-39-19(14)30)5-29-6-11(23-8-32)31-12(29)3-2-4-24-31/h2-4,6,8,14,19H,5,7,9H2,1H3,(H4-,22,23,24,25,26,28,32,33,35,36)/b27-13-/t14-,19-/m1/s1