| SpectraBase Spectrum ID |
9aZecNUQgUH |
| Name |
2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-nitro-phenyl)-7H-prrano[2,3-d]thiazole-6-carbonitrile |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16N4O4S2 |
| InChI |
InChI=1S/C21H16N4O4S2/c22-9-13-15(10-5-7-11(8-6-10)25(27)28)17-19(29-21(13)26)24-20(31-17)16-12-3-1-2-4-14(12)30-18(16)23/h5-8,15,26H,1-4,23H2 |
| InChIKey |
VJCLHPQANSJOMZ-UHFFFAOYSA-N |
| Instrument Name |
Hewlett Packard 5988 and Shimadzu GCMS-QP 1000 Ex |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3697 |
| Molecular Weight |
452.503 g/mol |
| SMILES |
Nc1sc2c(c1-c1nc3OC(=C(C(c3s1)c1ccc(cc1)[N+]([O-])=O)C#N)O)CCCC2 |
| SPLASH |
splash10-004i-0900000000-5576a6262edb99fd1ef1 |
| Source of Spectrum |
Y-56-3023-2h |
| Wiley ID |
1859336 |
![2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-nitro-phenyl)-7H-prrano[2,3-d]thiazole-6-carbonitrile](/api/spectrum/9aZecNUQgUH/structure.png?h=300&w=458 "2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-nitro-phenyl)-7H-prrano[2,3-d]thiazole-6-carbonitrile")
