| SpectraBase Spectrum ID |
EmTuVQc7Z8q |
| Name |
4-Thiazoleacetic acid, 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]amino]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
485.107913196 u |
| Formula |
C23H23N3O5S2 |
| InChI |
InChI=1S/C23H23N3O5S2/c1-2-31-21(27)13-19-15-32-23(24-19)25-22(28)17-7-9-20(10-8-17)33(29,30)26-12-11-16-5-3-4-6-18(16)14-26/h3-10,15H,2,11-14H2,1H3,(H,24,25,28) |
| InChIKey |
XBESMPCDPDWMHL-UHFFFAOYSA-N |
| Molecular Weight |
485.573 g/mol |
| SMILES |
N(C1=NC(CC(=O)OCC)=CS1)C(C=1C=CC(S(N2CC=3C=CC=CC3CC2)(=O)=O)=CC1)=O |
![4-thiazoleacetic acid, 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]amino]-, ethyl ester](/api/spectrum/EmTuVQc7Z8q/structure.png?h=300&w=458 "4-thiazoleacetic acid, 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]amino]-, ethyl ester")
