(4-nitrophenyl)methyl 7-oxidanylidene-3-(triphenylmethyl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 7-oxidanylidene-3-(triphenylmethyl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-oxo-3-tritylsulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 7-oxo-3-[(triphenylmethyl)thio]-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-oxo-3-tritylsulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3-(tritylthio)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C33H28N2O5S MolecularWeight: 564.65082

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(C1SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC(=O)N2C(C1SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C33H28N2O5S/c36-30-21-28-20-29(31(34(28)30)32(37)40-22-23-16-18-27(19-17-23)35(38)39)41-33(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,28-29,31H,20-22H2