Account (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one
- Catalog No. :
- ACAWBM533
- CAS No. :
- 220352-29-4
- Molecular Formula :
- C19H21F2NO3S
- Molecular Weight :
- 381.44
IUPAC Name:(E)-3-(3,4-difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)prop-2-en-1-one
![(E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one |
|---|---|
| IUPAC Name | (E)-3-(3,4-difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)prop-2-en-1-one |
| MDL No. | MFCD27991325 |
| Molecular Formula | C19H21F2NO3S |
| Molecular Weight | 381.44 |
| SMILES | O=C(N([C@@]1([H])[C@](CC[C@]2([H])C1)(C2(C)C)C3)S3(=O)=O)/C=C/C4=CC=C(F)C(F)=C4 |
| InChI Key | RSZFNQMNZSXXIE-NALRDDBRSA-N |
| Synonym | (E)-3-(3,4-difluorophenyl)-1-((3aS,6R,7aR)-8,8-diMethyl-2,2-dioxidohexahydro-1H-3a,6-Methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one;(E)-3-(3,4-difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)prop-2-en-1-one;2-Propen-1-one, 3-(3,4-difluorophenyl)-1-[(3aS,6R,7aR)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-, (2E)- |
| CAS No. | 220352-29-4 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACAWBM533 Molecular Building Block Synthetic Route
1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one
1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one
(E)-1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)but-2-en-1-one