(6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(1-methylcyclopentyl)oxyimino-ethanoyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-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-(1-methylcyclopentyl)oxyimino-ethanoyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-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-(1-methylcyclopentoxy)imino-acetyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-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-(1-methylcyclopentyl)oxyimino-1-oxoethyl]amino]-3-(1-imidazo[1,2-b]pyridazin-4-iumylmethyl)-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-(1-methylcyclopentyl)oxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-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-(1-methylcyclopentyl)oximino-acetyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H25N9O5S2 MolecularWeight: 583.6426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1)ON=C(C2=NSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CN5C=C[N+]6=C5C=CC=N6)C(=O)[O-]

Isomeric SMILES

CC1(CCCC1)O/N=C(/C2=NSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CN5C=C[N+]6=C5C=CC=N6)C(=O)[O-]

InChI

InChI=1S/C24H25N9O5S2/c1-24(6-2-3-7-24)38-29-15(18-28-23(25)40-30-18)19(34)27-16-20(35)33-17(22(36)37)13(12-39-21(16)33)11-31-9-10-32-14(31)5-4-8-26-32/h4-5,8-10,16,21H,2-3,6-7,11-12H2,1H3,(H3-,25,27,28,30,34,36,37)/b29-15-/t16-,21-/m1/s1