| SpectraBase Spectrum ID |
6brxGsaVt8X |
| Name |
Methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate |
| Alternate Name(s) |
Propanoic acid, 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]-, methyl ester
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(1-oxo-2-phenylethyl)amino]propanoic acid methyl ester
Methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate
Methyl 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate
Methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(2-phenylethanoylamino)propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20F3N3O3S |
| InChI |
InChI=1S/C21H20F3N3O3S/c1-30-19(29)20(21(22,23)24,26-17(28)11-13-7-3-2-4-8-13)27-18-15(12-25)14-9-5-6-10-16(14)31-18/h2-4,7-8,27H,5-6,9-11H2,1H3,(H,26,28) |
| InChIKey |
UHXDRWGRMOBQEE-UHFFFAOYSA-N |
| Molecular Weight |
451.464 g/mol |
| SMILES |
N(C(=O)Cc1ccccc1)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCC2)C(OC)=O |
| SPLASH |
splash10-00mo-7954000000-ad6e83252410520500d8 |
| Source of Spectrum |
IY-2-5052-0 |
| Wiley ID |
1658503 |
![Methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate](/api/spectrum/6brxGsaVt8X/structure.png?h=300&w=458 "Methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate")
