(6R,7R)-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[[6-(methylcarbamoyl)imidazo[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-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[[6-(methylcarbamoyl)imidazo[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-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-3-[[6-(methylcarbamoyl)imidazo[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-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-3-[[6-(methylcarbamoyl)-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-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-3-[[6-(methylcarbamoyl)imidazo[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-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-keto-3-[[6-(methylcarbamoyl)imidazo[1,2-b]pyridazin-4-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H18N10O6S2 MolecularWeight: 558.55032

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=N[N+]2=C(C=C1)N(C=C2)CC3=C(N4C(C(C4=O)NC(=O)C(=C5NSC(=N5)N)N=O)SC3)C(=O)[O-]

Isomeric SMILES

CNC(=O)C1=N[N+]2=C(C=C1)N(C=C2)CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=C/5\NSC(=N5)N)/N=O)SC3)C(=O)[O-]

InChI

InChI=1S/C20H18N10O6S2/c1-22-15(31)9-2-3-10-28(4-5-29(10)25-9)6-8-7-37-18-12(17(33)30(18)13(8)19(34)35)23-16(32)11(26-36)14-24-20(21)38-27-14/h2-5,12,18H,6-7H2,1H3,(H5-,21,22,23,24,27,31,32,34,35,36)/t12-,18-/m1/s1