[(E)-4-diphenylphosphoryloxybut-2-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [(E)-4-diphenylphosphoryloxybut-2-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(E)-4-diphenylphosphoryloxybut-2-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-4-diphenylphosphoryloxybut-2-enyl] ester IUPAC Name: [(E)-4-diphenylphosphoryloxybut-2-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-4-diphenylphosphoryloxybut-2-enyl] ester Formula: C23H22NO5PS MolecularWeight: 455.463241

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OCC=CCOP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)OC/C=C/COP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22NO5PS/c25-21-17-22-24(21)20(13-16-31-22)23(26)28-14-7-8-15-29-30(27,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,22H,14-17H2/b8-7+