(phenylmethyl) 7-[[(2E)-2-methoxyimino-2-[2-(1,1,2-triphenylethylamino)-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-(trifluoromethylsulfonyloxy)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 7-[[(2E)-2-methoxyimino-2-[2-(1,1,2-triphenylethylamino)-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-(trifluoromethylsulfonyloxy)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 7-[[(2E)-2-methoxyimino-2-[2-(1,1,2-triphenylethylamino)thiazol-4-yl]acetyl]amino]-8-oxo-3-(trifluoromethylsulfonyloxy)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-methoxyimino-1-oxo-2-[2-(1,1,2-triphenylethylamino)-4-thiazolyl]ethyl]amino]-8-oxo-3-(trifluoromethylsulfonyloxy)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[[(2E)-2-methoxyimino-2-[2-(1,1,2-triphenylethylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-3-(trifluoromethylsulfonyloxy)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[(2E)-2-methyloximino-2-[2-(1,1,2-triphenylethylamino)thiazol-4-yl]acetyl]amino]-3-triflyloxy-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C42H36F3N5O8S2 MolecularWeight: 859.88915

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)NC(CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6CCC(=C(N6C5=O)C(=O)OCC7=CC=CC=C7)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)NC(CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)NC5C6CCC(=C(N6C5=O)C(=O)OCC7=CC=CC=C7)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C42H36F3N5O8S2/c1-56-49-34(31-26-59-40(46-31)48-41(29-18-10-4-11-19-29,30-20-12-5-13-21-30)24-27-14-6-2-7-15-27)37(51)47-35-32-22-23-33(58-60(54,55)42(43,44)45)36(50(32)38(35)52)39(53)57-25-28-16-8-3-9-17-28/h2-21,26,32,35H,22-25H2,1H3,(H,46,48)(H,47,51)/b49-34+