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

Systemtic Name: (phenylmethyl) 7-oxidanylidene-3-(triphenylmethyl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C33H29NO3S MolecularWeight: 519.65326

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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=CC=C6

Isomeric SMILES

C1C2CC(=O)N2C(C1SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C33H29NO3S/c35-30-22-28-21-29(31(34(28)30)32(36)37-23-24-13-5-1-6-14-24)38-33(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29,31H,21-23H2