| SpectraBase Spectrum ID |
5qFpE7epehA |
| Name |
Ethyl 2-({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}amino)-3,3,3-trifluoro-2-[(2-fluorophenyl)formamido]propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21F4N3O3S |
| InChI |
InChI=1S/C22H21F4N3O3S/c1-2-32-20(31)21(22(24,25)26,28-18(30)14-9-6-7-10-16(14)23)29-19-15(12-27)13-8-4-3-5-11-17(13)33-19/h6-7,9-10,29H,2-5,8,11H2,1H3,(H,28,30) |
| InChIKey |
HSMXLNYOJPOUPI-UHFFFAOYSA-N |
| Molecular Weight |
483.482 g/mol |
| SMILES |
N(C(NC(=O)c1ccccc1F)(C(OCC)=O)C(F)(F)F)c1sc2c(c1C#N)CCCCC2 |
| SPLASH |
splash10-0006-1249100000-9b38def5994c2f1890a4 |
| Source of Spectrum |
IY-2-5036-6 |
| Synonyms |
Propanoic acid, 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-, ethyl ester
2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-[[(2-fluorophenyl)-oxomethyl]amino]propanoic acid ethyl ester
Ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate
Ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-[(2-fluorophenyl)carbonylamino]propanoate |
| Wiley ID |
1658349 |
![Ethyl 2-({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}amino)-3,3,3-trifluoro-2-[(2-fluorophenyl)formamido]propanoate](/api/spectrum/5qFpE7epehA/structure.png?h=300&w=458 "Ethyl 2-({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}amino)-3,3,3-trifluoro-2-[(2-fluorophenyl)formamido]propanoate")
