Account 2-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate
- Catalog No. :
- ACPCMX979
- CAS No. :
- 52749-17-4
- Molecular Formula :
- C25H26N2O2S2
- Molecular Weight :
- 450.63
IUPAC Name:2-(2-((E)-2-((Z)-(3-ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate
![2-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate |
|---|---|
| IUPAC Name | 2-(2-((E)-2-((Z)-(3-ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-methylbenzo[d]thiazol-3-ium-3-yl)acetate |
| Molecular Formula | C25H26N2O2S2 |
| Molecular Weight | 450.63 |
| SMILES | CC1=CC=C(SC(/C=C(/C=C2SC3=CC=C(C)C=C3N\2CC)CC)=[N+]4CC([O-])=O)C4=C1 |
| InChI Key | FRMNAFRWMAEMRV-UHFFFAOYSA-N |
| Synonym | CARBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-;2-[2-[3-(Carboxymethyl)-5-methyl-2(3H)-benzothiazolylidenemethyl]-1-butenyl]-3-ethyl-5-methylbenzothiazolium hydroxide inner salt;carboxymethylmethylbenzothiazolylidene-me-butenyl;CARBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-M E-BUTENYL-ET-ME-BENZOTHIAZOLIUM HYDROX;carbomethylmethylbenzothiazolylidene me-butenyl-et-me-benz;2-[2-[3-(Carboxymethyl)-5-methyl-2(3H)-benzothiazolylidenemethyl]-1-butenyl]-3-ethyl-5-methylbenzothiazolium hydroxide inner salt |
| CAS No. | 52749-17-4 |
Synthetic Route by SureRoute
2. ACPCMX979 Molecular Building Block Synthetic Route
Benzothiazolium, 5-methyl-2-[2-[[5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine
3-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)naphtho[1,2-d]thiazol-1-ium-1-yl)propane-1-sulfonate
3-(2-Hydroxyethyl)-2-(3-(3-(2-hydroxyethyl)benzo[d]thiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl)benzo[d]thiazol-3-ium chloride