| SpectraBase Spectrum ID |
99xjXzMjbFp |
| Name |
3-[(2'-Bromoacetyl)amino]-5-[(benzothiazol-2'-yl)methylene]-2-thioxothiazolidin-4-one |
| Alternate Name(s) |
N-[(5E)-5-(1,3-benzothiazol-2-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-bromoacetamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H8BrN3O2S3 |
| InChI |
InChI=1S/C13H8BrN3O2S3/c14-6-10(18)16-17-12(19)9(22-13(17)20)5-11-15-7-3-1-2-4-8(7)21-11/h1-5H,6H2,(H,16,18)/b9-5+ |
| InChIKey |
SORABQWARBCPPE-WEVVVXLNSA-N |
| Molecular Weight |
414.310 g/mol |
| SMILES |
N(N1C(\C(=C/c2nc3ccccc3s2)SC1=S)=O)C(=O)CBr |
| SPLASH |
splash10-0006-0090000000-dd9463407771c46046a1 |
| Source of Spectrum |
Y-32-1023-3 |
| Wiley ID |
1374933 |
![3-[(2'-Bromoacetyl)amino]-5-[(benzothiazol-2'-yl)methylene]-2-thioxothiazolidin-4-one](/api/spectrum/99xjXzMjbFp/structure.png?h=300&w=458 "3-[(2'-Bromoacetyl)amino]-5-[(benzothiazol-2'-yl)methylene]-2-thioxothiazolidin-4-one")
