3-[[1-[2-(1-azanylcyclopropyl)ethyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[[1-[2-(1-azanylcyclopropyl)ethyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[[1-[2-(1-aminocyclopropyl)ethyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[1-[2-(1-aminocyclopropyl)ethyl]-4-imidazo[4,5-b]pyridin-4-iumyl]methyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[[1-[2-(1-aminocyclopropyl)ethyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[1-[2-(1-aminocyclopropyl)ethyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H28N10O5S2 MolecularWeight: 612.68382

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4N=CN5CCC6(CC6)N)C(=O)[O-]

Isomeric SMILES

CCO/N=C(/C1=NSC(=N1)N)\C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4N=CN5CCC6(CC6)N)C(=O)[O-]

InChI

InChI=1S/C25H28N10O5S2/c1-2-40-31-15(18-30-24(26)42-32-18)20(36)29-16-21(37)35-17(23(38)39)13(11-41-22(16)35)10-33-8-3-4-14-19(33)28-12-34(14)9-7-25(27)5-6-25/h3-4,8,12,16,22H,2,5-7,9-11,27H2,1H3,(H3-,26,29,30,32,36,38,39)/b31-15-