| SpectraBase Spectrum ID |
D0YH38EEBRj |
| Name |
3-Methoxycarbonylmethyl-5-(4-nitrophenyl)-2-ethylimino-3,6-dihydro-2H-1,3,4-thiadiazinium bromide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H17BrN4O4S |
| InChI |
InChI=1S/C14H16N4O4S.BrH/c1-3-15-14-17(8-13(19)22-2)16-12(9-23-14)10-4-6-11(7-5-10)18(20)21;/h4-7H,3,8-9H2,1-2H3;1H/b15-14-; |
| InChIKey |
XYNOEZYVAWTZKL-BGWNKZQTSA-N |
| Molecular Weight |
417.278 g/mol |
| SMILES |
[Br-].[NH+]1(N=C(CS\C1=N\CC)c1ccc(cc1)N(=O)=O)CC(=O)OC |
| SPLASH |
splash10-000t-0941000000-be8e25f904e63abd463a |
| Source of Spectrum |
SO-64-520-3 |
| Synonyms |
(2Z)-2-[(Z)-ethylimino]-3-(2-methoxy-2-oxoethyl)-5-(4-nitrophenyl)-3,6-dihydro-2H-1,3,4-thiadiazin-3-ium bromide |
| Wiley ID |
1540737 |
