Catalog Number:
AG00HHXG
Chemical Name:
Racemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide
CAS Number:
1250995-87-9
Molecular Formula:
C12H20N2O5S
Molecular Weight:
304.3626
MDL Number:
MFCD28390413
IUPAC Name:
tert-butyl (1S,5S,7R)-4,4-dioxo-11-oxa-4λ6-thia-3,9-diazatricyclo[5.3.1.01,5]undecane-9-carboxylate
InChI:
InChI=1S/C12H20N2O5S/c1-11(2,3)19-10(15)14-5-8-4-9-12(7-14,18-8)6-13-20(9,16)17/h8-9,13H,4-7H2,1-3H3/t8-,9+,12-/m1/s1
InChI Key:
LLJIJCDEHHTIBW-VDDIYKPWSA-N
SMILES:
O=C(N1C[C@H]2C[C@H]3[C@@](C1)(O2)CNS3(=O)=O)OC(C)(C)C
