7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-propan-2-yloxyimino-ethanoyl]amino]-3-[[1-[3-(methylamino)propyl]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-propan-2-yloxyimino-ethanoyl]amino]-3-[[1-[3-(methylamino)propyl]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-isopropoxyimino-acetyl]amino]-3-[[1-[3-(methylamino)propyl]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)-1-oxo-2-propan-2-yloxyiminoethyl]amino]-3-[[1-[3-(methylamino)propyl]-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-propan-2-yloxyiminoacetyl]amino]-3-[[1-[3-(methylamino)propyl]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-isopropyloximino-acetyl]amino]-8-keto-3-[[1-[3-(methylamino)propyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H30N10O5S2 MolecularWeight: 614.6997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)ON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4N=CN5CCCNC)C(=O)[O-]

Isomeric SMILES

CC(C)O/N=C(/C1=NSC(=N1)N)\C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4N=CN5CCCNC)C(=O)[O-]

InChI

InChI=1S/C25H30N10O5S2/c1-13(2)40-31-16(19-30-25(26)42-32-19)21(36)29-17-22(37)35-18(24(38)39)14(11-41-23(17)35)10-33-8-4-6-15-20(33)28-12-34(15)9-5-7-27-3/h4,6,8,12-13,17,23,27H,5,7,9-11H2,1-3H3,(H3-,26,29,30,32,36,38,39)/b31-16-