| SpectraBase Spectrum ID |
KpZKYCrPHNd |
| Name |
2-{[(2E)-3-(4-fluorophenyl)-2-propenoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.115127195 u |
| Formula |
C19H19FN2O2S |
| InChI |
InChI=1S/C19H19FN2O2S/c20-13-9-6-12(7-10-13)8-11-16(23)22-19-17(18(21)24)14-4-2-1-3-5-15(14)25-19/h6-11H,1-5H2,(H2,21,24)(H,22,23)/b11-8+ |
| InChIKey |
NDZKSBIVWLRFNW-DHZHZOJOSA-N |
| Molecular Weight |
358.431 g/mol |
| SMILES |
NC(C1=C(SC=2CCCCCC12)NC(\C=C\C=1C=CC(F)=CC1)=O)=O |
![2-{[(2E)-3-(4-fluorophenyl)-2-propenoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide](/api/spectrum/KpZKYCrPHNd/structure.png?h=300&w=458 "2-{[(2E)-3-(4-fluorophenyl)-2-propenoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide")
