| SpectraBase Spectrum ID |
905bgZierAr |
| Name |
2-Thiophenecarboxylic acid, 3-[[2-[[2-(5-chloro-1H-indol-3-yl)ethyl]amino]-1,2-dioxoethyl]amino]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.055004877 u |
| Formula |
C18H16ClN3O4S |
| InChI |
InChI=1S/C18H16ClN3O4S/c1-26-18(25)15-14(5-7-27-15)22-17(24)16(23)20-6-4-10-9-21-13-3-2-11(19)8-12(10)13/h2-3,5,7-9,21H,4,6H2,1H3,(H,20,23)(H,22,24) |
| InChIKey |
IFYBKDWBURBGSZ-UHFFFAOYSA-N |
| Molecular Weight |
405.856 g/mol |
| SMILES |
N(C(C(=O)NCCC1=CNC2=C1C=C(C=C2)Cl)=O)C1=C(C(=O)OC)SC=C1 |
![2-thiophenecarboxylic acid, 3-[[2-[[2-(5-chloro-1H-indol-3-yl)ethyl]amino]-1,2-dioxoethyl]amino]-, methyl ester](/api/spectrum/905bgZierAr/structure.png?h=300&w=458 "2-thiophenecarboxylic acid, 3-[[2-[[2-(5-chloro-1H-indol-3-yl)ethyl]amino]-1,2-dioxoethyl]amino]-, methyl ester")
