| SpectraBase Spectrum ID |
HxrQ87C59sP |
| Name |
Isopropyl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.077105365 u |
| Formula |
C19H16F5NO3S |
| InChI |
InChI=1S/C19H16F5NO3S/c1-7(2)28-19(27)10-8-5-3-4-6-9(8)29-18(10)25-17(26)11-12(20)14(22)16(24)15(23)13(11)21/h7H,3-6H2,1-2H3,(H,25,26) |
| InChIKey |
BBYKLESHQJQVSN-UHFFFAOYSA-N |
| Molecular Weight |
433.393 g/mol |
| SMILES |
N(C(C=1C(=C(F)C(=C(C1F)F)F)F)=O)C1=C(C(OC(C)C)=O)C2=C(CCCC2)S1 |
![Isopropyl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/HxrQ87C59sP/structure.png?h=300&w=458 "Isopropyl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
