| SpectraBase Spectrum ID |
12EHszoC8Sb |
| Name |
Benzoic acid, 2-[2-(3H-imidazo[4,5-B]pyridin-2-ylsulfanyl)acetylamino]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.078661498 u |
| Formula |
C16H14N4O3S |
| InChI |
InChI=1S/C16H14N4O3S/c1-23-15(22)10-5-2-3-6-11(10)18-13(21)9-24-16-19-12-7-4-8-17-14(12)20-16/h2-8H,9H2,1H3,(H,18,21)(H,17,19,20) |
| InChIKey |
NKHLHMCPZUWWRC-UHFFFAOYSA-N |
| Molecular Weight |
342.373 g/mol |
| SMILES |
C1=CN=C2C(=C1)N=C(SCC(NC=1C(C(OC)=O)=CC=CC1)=O)N2 |
![Benzoic acid, 2-[2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetylamino]-, methyl ester](/api/spectrum/12EHszoC8Sb/structure.png?h=300&w=458 "Benzoic acid, 2-[2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetylamino]-, methyl ester")
