| SpectraBase Spectrum ID |
76R5z2CZdOL |
| Name |
Thiophene-2-carboxylic acid, 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetylamino]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.120940850 u |
| Formula |
C18H20FN3O3S |
| InChI |
InChI=1S/C18H20FN3O3S/c1-25-18(24)17-15(6-11-26-17)20-16(23)12-21-7-9-22(10-8-21)14-4-2-13(19)3-5-14/h2-6,11H,7-10,12H2,1H3,(H,20,23) |
| InChIKey |
MNNAIWDEQUZTQS-UHFFFAOYSA-N |
| Molecular Weight |
377.434 g/mol |
| SMILES |
C=1C(=C(C(OC)=O)SC1)NC(=O)CN1CCN(C2=CC=C(F)C=C2)CC1 |
![Thiophene-2-carboxylic acid, 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetylamino]-, methyl ester](/api/spectrum/76R5z2CZdOL/structure.png?h=300&w=458 "Thiophene-2-carboxylic acid, 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetylamino]-, methyl ester")
