| SpectraBase Spectrum ID |
BUsXynZ7vcH |
| Name |
3-[2-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetylamino]-benzoic acid isopropyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.130362719 u |
| Formula |
C20H21N3O3S |
| InChI |
InChI=1S/C20H21N3O3S/c1-13(2)26-19(25)14-7-6-8-15(11-14)21-18(24)12-27-20-22-16-9-4-5-10-17(16)23(20)3/h4-11,13H,12H2,1-3H3,(H,21,24) |
| InChIKey |
NQYCSECXBAXJCQ-UHFFFAOYSA-N |
| Molecular Weight |
383.466 g/mol |
| SMILES |
C1(=NC=2C=CC=CC2N1C)SCC(NC=1C=C(C(OC(C)C)=O)C=CC1)=O |
![3-[2-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetylamino]-benzoic acid isopropyl ester](/api/spectrum/BUsXynZ7vcH/structure.png?h=300&w=458 "3-[2-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetylamino]-benzoic acid isopropyl ester")
