(diphenylmethyl) 7-[[(2E)-2-[5-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-[5-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-[2-(tert-butoxycarbonylamino)-5-chloro-thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-8-oxo-3-[(E)-2-(trifluoromethylsulfonyloxy)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-[5-chloro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-8-oxo-3-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-8-oxo-3-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-[2-(tert-butoxycarbonylamino)-5-chloro-thiazol-4-yl]-2-trityloximino-acetyl]amino]-8-keto-3-[(E)-2-triflyloxyvinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C52H43ClF3N5O10S3 MolecularWeight: 1086.56853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=C(S1)Cl)C(=NOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(=C(CS6)C=COS(=O)(=O)C(F)(F)F)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=C(S1)Cl)/C(=N\OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)NC5C6N(C5=O)C(=C(CS6)/C=C/OS(=O)(=O)C(F)(F)F)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C52H43ClF3N5O10S3/c1-50(2,3)70-49(65)59-48-58-38(43(53)73-48)39(60-71-51(35-23-13-6-14-24-35,36-25-15-7-16-26-36)37-27-17-8-18-28-37)44(62)57-40-45(63)61-41(34(31-72-46(40)61)29-30-68-74(66,67)52(54,55)56)47(64)69-42(32-19-9-4-10-20-32)33-21-11-5-12-22-33/h4-30,40,42,46H,31H2,1-3H3,(H,57,62)(H,58,59,65)/b30-29+,60-39+