7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-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-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-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-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-oxazolyl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-3-(7-furo[2,3-b]pyridin-7-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-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-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-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H22N6O9S MolecularWeight: 570.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)ON=C(C1=COC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4OC=C5)C(=O)[O-]

Isomeric SMILES

CC(C)(C(=O)O)O/N=C(\C1=COC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4OC=C5)C(=O)[O-]

InChI

InChI=1S/C24H22N6O9S/c1-24(2,22(35)36)39-28-14(13-9-38-23(25)26-13)17(31)27-15-18(32)30-16(21(33)34)12(10-40-20(15)30)8-29-6-3-4-11-5-7-37-19(11)29/h3-7,9,15,20H,8,10H2,1-2H3,(H4-,25,26,27,31,33,34,35,36)/b28-14+