7-[[(2E)-2-(5-azanyl-1,2,4-oxadiazol-3-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(thieno[2,3-c]pyridin-6-ium-6-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-oxadiazol-3-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(thieno[2,3-c]pyridin-6-ium-6-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-8-oxo-3-(thieno[2,3-c]pyridin-6-ium-6-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-8-oxo-3-(6-thieno[2,3-c]pyridin-6-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(thieno[2,3-c]pyridin-6-ium-6-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-8-keto-3-(thieno[2,3-c]pyridin-6-ium-6-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H21N7O8S2 MolecularWeight: 587.58494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)ON=C(C1=NOC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C4)C=CS5)C(=O)[O-]

Isomeric SMILES

CC(C)(C(=O)O)O/N=C(\C1=NOC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C4)C=CS5)C(=O)[O-]

InChI

InChI=1S/C23H21N7O8S2/c1-23(2,21(35)36)38-27-13(16-26-22(24)37-28-16)17(31)25-14-18(32)30-15(20(33)34)11(9-40-19(14)30)7-29-5-3-10-4-6-39-12(10)8-29/h3-6,8,14,19H,7,9H2,1-2H3,(H4-,24,25,26,28,31,33,34,35,36)/b27-13+