| SpectraBase Spectrum ID |
AzBZrHcuYbF |
| Name |
2H-Pyrrolo[3,4-d]isothiazole-3-carboxylic acid, hexahydro-5-methyl-3-[2-(methylthio)ethyl]-4,6-dioxo-, methyl ester, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)- |
| CAS Registry Number |
119066-59-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H16N2O5S2 |
| InChI |
InChI=1S/C11H16N2O5S2/c1-12-9(14)6-7(11(16)18-4-5-19-3)13(2)20(17)8(6)10(12)15/h6-8H,4-5H2,1-3H3/t6-,7-,8+,20?/m0/s1 |
| InChIKey |
KWMOABXXIPEMEX-QTJQXAHPSA-N |
| Molecular Weight |
320.378 g/mol |
| SMILES |
[C@@]12([S@](N([C@@]([C@@]2(C(=O)N(C1=O)C)[H])(C(=O)OCCSC)[H])C)=O)[H] |
| SPLASH |
splash10-03di-9220000000-4cf7a65b52671344badd |
| Source of Spectrum |
F-44-4951-15 |
| Synonyms |
2-(methylsulfanyl)ethyl (3S,3aR,6aR)-2,5-dimethyl-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isothiazole-3-carboxylate 1-oxide
Methyl 4-(.beta.-thiomethyl)ethyl-7-methyl-2-thia-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-2-carboxylate S-oxide |
| Wiley ID |
1319654 |
![2H-Pyrrolo[3,4-d]isothiazole-3-carboxylic acid, hexahydro-5-methyl-3-[2-(methylthio)ethyl]-4,6-dioxo-, methyl ester, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-](/api/spectrum/AzBZrHcuYbF/structure.png?h=300&w=458 "2H-Pyrrolo[3,4-d]isothiazole-3-carboxylic acid, hexahydro-5-methyl-3-[2-(methylthio)ethyl]-4,6-dioxo-, methyl ester, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-")
