7-[[(2E)-2-(5-azanyl-1,2-oxazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2-oxazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(5-aminoisoxazol-3-yl)-2-methoxyimino-acetyl]amino]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(5-amino-3-isoxazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(4-furo[3,2-b]pyridin-4-iumylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(5-amino-1,2-oxazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(5-aminoisoxazol-3-yl)-2-methyloximino-acetyl]amino]-3-(furo[3,2-b]pyridin-4-ium-4-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H18N6O7S MolecularWeight: 498.46862

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=NOC(=C1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4C=CO5)C(=O)[O-]

Isomeric SMILES

CO/N=C(\C1=NOC(=C1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4C=CO5)C(=O)[O-]

InChI

InChI=1S/C21H18N6O7S/c1-32-25-15(11-7-14(22)34-24-11)18(28)23-16-19(29)27-17(21(30)31)10(9-35-20(16)27)8-26-5-2-3-13-12(26)4-6-33-13/h2-7,16,20H,8-9H2,1H3,(H3-,22,23,24,28,30,31)/b25-15+