| SpectraBase Spectrum ID |
8isMLJZELib |
| Name |
2H-Pyrrolo[3,4-d]isothiazole-3-carboxylic acid, hexahydro-3,5-dimethyl-4,6-dioxo-, methyl ester, 1-oxide, (1.alpha.,3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)- |
| CAS Registry Number |
119180-37-9 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12N2O5S |
| InChI |
InChI=1S/C9H12N2O5S/c1-10-7(12)4-5(9(14)16-3)11(2)17(15)6(4)8(10)13/h4-6H,1-3H3/t4-,5+,6+,17?/m0/s1 |
| InChIKey |
QDSNXZDWXPFUFZ-IOIKSPKXSA-N |
| Molecular Weight |
260.264 g/mol |
| SMILES |
[C@@]12([S@](N([C@]([C@@]2(C(=O)N(C1=O)C)[H])(C(=O)OC)[H])C)=O)[H] |
| SPLASH |
splash10-0f6t-0970000000-1d4f296a2cdc8f91ce47 |
| Source of Spectrum |
F-44-4950-15 |
| Synonyms |
Methyl (3R,3aR,6aR)-2,5-dimethyl-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isothiazole-3-carboxylate 1-oxide
Methyl 4,7-dimethyl-2-thia-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4-carboxylate S-oxide |
| Wiley ID |
1263100 |
![2H-Pyrrolo[3,4-d]isothiazole-3-carboxylic acid, hexahydro-3,5-dimethyl-4,6-dioxo-, methyl ester, 1-oxide, (1.alpha.,3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-](/api/spectrum/8isMLJZELib/structure.png?h=300&w=458 "2H-Pyrrolo[3,4-d]isothiazole-3-carboxylic acid, hexahydro-3,5-dimethyl-4,6-dioxo-, methyl ester, 1-oxide, (1.alpha.,3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-")
