(diphenylmethyl) 3-diphenylphosphoryloxy-8-oxidanylidene-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-diphenylphosphoryloxy-8-oxidanylidene-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-diphenylphosphoryloxy-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-diphenylphosphoryloxy-8-oxo-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-diphenylphosphoryloxy-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-diphenylphosphoryloxy-8-keto-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C51H41N2O5PS MolecularWeight: 824.920401

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7)OP(=O)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7)OP(=O)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C51H41N2O5PS/c54-48-45(52-51(39-26-12-3-13-27-39,40-28-14-4-15-29-40)41-30-16-5-17-31-41)49-53(48)46(50(55)57-47(37-22-8-1-9-23-37)38-24-10-2-11-25-38)44(36-60-49)58-59(56,42-32-18-6-19-33-42)43-34-20-7-21-35-43/h1-35,45,47,49,52H,36H2