7-[[(2E)-2-(5-azanyl-1,2,4-oxadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(thieno[2,3-b]pyridin-7-ium-7-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-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(thieno[2,3-b]pyridin-7-ium-7-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-methoxyimino-acetyl]amino]-8-oxo-3-(thieno[2,3-b]pyridin-7-ium-7-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-methoxyimino-1-oxoethyl]amino]-8-oxo-3-(7-thieno[2,3-b]pyridin-7-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-methoxyiminoacetyl]amino]-8-oxo-3-(thieno[2,3-b]pyridin-7-ium-7-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-methyloximino-acetyl]amino]-8-keto-3-(thieno[2,3-b]pyridin-7-ium-7-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H17N7O6S2 MolecularWeight: 515.52228

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=NOC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4SC=C5)C(=O)[O-]

Isomeric SMILES

CO/N=C(\C1=NOC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4SC=C5)C(=O)[O-]

InChI

InChI=1S/C20H17N7O6S2/c1-32-24-11(14-23-20(21)33-25-14)15(28)22-12-16(29)27-13(19(30)31)10(8-35-18(12)27)7-26-5-2-3-9-4-6-34-17(9)26/h2-6,12,18H,7-8H2,1H3,(H3-,21,22,23,25,28,30,31)/b24-11+