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

Systemtic Name: 7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-3-[[1-[2-(methylamino)ethyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-acetyl]amino]-3-[[1-[2-(methylamino)ethyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-1-oxoethyl]amino]-3-[[1-[2-(methylamino)ethyl]-4-imidazo[4,5-b]pyridin-4-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[1-[2-(methylamino)ethyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyloximino-acetyl]amino]-8-keto-3-[[1-[2-(methylamino)ethyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H26N10O5S2 MolecularWeight: 586.64654

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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=CN5CCNC)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=CN5CCNC)C(=O)[O-]

InChI

InChI=1S/C23H26N10O5S2/c1-3-38-29-14(17-28-23(24)40-30-17)19(34)27-15-20(35)33-16(22(36)37)12(10-39-21(15)33)9-31-7-4-5-13-18(31)26-11-32(13)8-6-25-2/h4-5,7,11,15,21,25H,3,6,8-10H2,1-2H3,(H3-,24,27,28,30,34,36,37)/b29-14-