7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-[[1-[2,2,2-tris(fluoranyl)ethyl]pyridin-1-ium-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-[[1-[2,2,2-tris(fluoranyl)ethyl]pyridin-1-ium-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(3-hydroxy-1-methyl-3-oxo-propoxy)imino-acetyl]amino]-8-oxo-3-[[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(4-hydroxy-4-oxobutan-2-yl)oxyimino-1-oxoethyl]amino]-8-oxo-3-[[[1-(2,2,2-trifluoroethyl)-2-pyridin-1-iumyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(4-hydroxy-4-oxobutan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-[[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(3-hydroxy-3-keto-1-methyl-propyl)oximino-acetyl]amino]-8-keto-3-[[[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H23F3N6O7S3 MolecularWeight: 660.66563

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=CC=CC=[N+]4CC(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC(CC(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=CC=CC=[N+]4CC(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C24H23F3N6O7S3/c1-11(6-15(34)35)40-31-16(13-9-43-23(28)29-13)19(36)30-17-20(37)33-18(22(38)39)12(8-42-21(17)33)7-41-14-4-2-3-5-32(14)10-24(25,26)27/h2-5,9,11,17,21H,6-8,10H2,1H3,(H4-,28,29,30,34,35,36,38,39)/b31-16+