(4-nitrophenyl)methyl (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (4-nitrophenyl)methyl (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 2,2,2-trifluoroacetate CAS Name: (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester; 2,2,2-trifluoroacetate IUPAC Name: (4-nitrophenyl)methyl (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 2,2,2-trifluoroacetate Traditional Name: (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester; 2,2,2-trifluoroacetate Formula: C24H24F3N5O8S MolecularWeight: 599.53627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(C)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])[C@@H](C)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C22H24N5O6S.C2HF3O2/c1-12-18-17(13(2)28)21(29)26(18)19(20(12)34-16-7-24-10-23-11-25(24)8-16)22(30)33-9-14-3-5-15(6-4-14)27(31)32;3-2(4,5)1(6)7/h3-6,10-13,16-18,28H,7-9H2,1-2H3;(H,6,7)/q+1;/p-1/t12-,13-,17-,18-;/m1./s1