| SpectraBase Spectrum ID |
HJ0puDzyRB8 |
| Name |
Benzoic acid, 4-[[2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]acetyl]amino]-, ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22N4O3S |
| InChI |
InChI=1S/C22H22N4O3S/c1-2-29-22(28)15-3-5-17(6-4-15)24-19(27)13-30-21-16(12-23)11-18-20(25-21)14-7-9-26(18)10-8-14/h3-6,11,14H,2,7-10,13H2,1H3,(H,24,27) |
| InChIKey |
VRQVLVWHYRMLBX-UHFFFAOYSA-N |
| Molecular Weight |
422.503 g/mol |
| SMILES |
N(C(CSc1nc2c(cc1C#N)N1CCC2CC1)=O)c1ccc(cc1)C(OCC)=O |
| SPLASH |
splash10-0a4i-6390000000-20d26f559acafe755db3 |
| Source of Spectrum |
IY-1-4593-0 |
| Wiley ID |
1653913 |
![Benzoic acid, 4-[[2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]acetyl]amino]-, ethyl ester](/api/spectrum/HJ0puDzyRB8/structure.png?h=300&w=458 "Benzoic acid, 4-[[2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]acetyl]amino]-, ethyl ester")
