Preparation of spirocyclic oxindoles by cyclisation of an oxime to a nitrone and dipolar cycloaddition
Beth L. Ritchie, Alexandra Longcake and Iain Coldham
Beilstein J. Org. Chem. 2025, 21, 1890–1896.
https://doi.org/10.3762/bjoc.21.146
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C20H21NO4S |
| Molecular Weight | 371.45 g/mol |
| Exact Mass | 371.1191 Da |
| InChI |
InChI=1S/C20H21NO4S/c1-4-13-20(17-7-5-6-8-18(17)21(3)19(20)22)14-25-26(23,24)16-11-9-15(2)10-12-16/h4-12H,1,13-14H2,2-3H3
|
| InChIKey |
MZWDOZLCESXCCR-UHFFFAOYSA-N
|
| SMILES |
C=CCC1(COS(=O)(=O)C2=CC=C(C)C=C2)C3=C(C=CC=C3)N(C)C1=O
|
| Number of Atoms | 47 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 10 |
| XLogP | 1.2 |
