7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-propan-2-yloxyimino-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-(2-azanyl-1,3-oxazol-4-yl)-2-propan-2-yloxyimino-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-(2-aminooxazol-4-yl)-2-isopropoxyimino-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-(2-amino-4-oxazolyl)-1-oxo-2-propan-2-yloxyiminoethyl]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-(2-amino-1,3-oxazol-4-yl)-2-propan-2-yloxyiminoacetyl]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-(2-aminooxazol-4-yl)-2-isopropyloximino-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: C23H22N6O7S MolecularWeight: 526.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)ON=C(C1=COC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4C=CO5)C(=O)[O-]

Isomeric SMILES

CC(C)O/N=C(\C1=COC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4C=CO5)C(=O)[O-]

InChI

InChI=1S/C23H22N6O7S/c1-11(2)36-27-16(13-9-35-23(24)25-13)19(30)26-17-20(31)29-18(22(32)33)12(10-37-21(17)29)8-28-6-3-4-15-14(28)5-7-34-15/h3-7,9,11,17,21H,8,10H2,1-2H3,(H3-,24,25,26,30,32,33)/b27-16+