7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[[6-(hydroxymethyl)pyrrolo[1,2-a]pyrazin-2-ium-2-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[[6-(hydroxymethyl)pyrrolo[1,2-a]pyrazin-2-ium-2-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[[6-(hydroxymethyl)pyrrolo[1,2-a]pyrazin-2-ium-2-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-3-[[6-(hydroxymethyl)-2-pyrrolo[1,2-a]pyrazin-2-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[[6-(hydroxymethyl)pyrrolo[1,2-a]pyrazin-2-ium-2-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(fluoromethyloximino)acetyl]amino]-8-keto-3-[(6-methylolpyrrolo[1,2-a]pyrazin-2-ium-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H21FN7O6S2+ MolecularWeight: 562.573843

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCF)C3=CSC(=N3)N)C(=O)O)C[N+]4=CC5=CC=C(N5C=C4)CO

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OCF)/C3=CSC(=N3)N)C(=O)O)C[N+]4=CC5=CC=C(N5C=C4)CO

InChI

InChI=1S/C22H20FN7O6S2/c23-10-36-27-15(14-9-38-22(24)25-14)18(32)26-16-19(33)30-17(21(34)35)11(8-37-20(16)30)5-28-3-4-29-12(6-28)1-2-13(29)7-31/h1-4,6,9,16,20,31H,5,7-8,10H2,(H3-,24,25,26,32,34,35)/p+1/b27-15+