| SpectraBase Spectrum ID |
CB4xjM5cZ0T |
| Name |
Propyl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.092755430 u |
| Formula |
C20H18F5NO3S |
| InChI |
InChI=1S/C20H18F5NO3S/c1-2-8-29-20(28)11-9-6-4-3-5-7-10(9)30-19(11)26-18(27)12-13(21)15(23)17(25)16(24)14(12)22/h2-8H2,1H3,(H,26,27) |
| InChIKey |
MFIYHVHHLDQVTN-UHFFFAOYSA-N |
| Molecular Weight |
447.420 g/mol |
| SMILES |
N(C1=C(C2=C(CCCCC2)S1)C(=O)OCCC)C(C1=C(C(F)=C(C(=C1F)F)F)F)=O |
![propyl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/CB4xjM5cZ0T/structure.png?h=300&w=458 "propyl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
