![alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(1-oxopentyl)amino]-, ethyl ester](/api/spectrum/Kii8M9PYew3/structure.png?h=300&w=458 "alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(1-oxopentyl)amino]-, ethyl ester")
| SpectraBase Compound ID | 67JjDRBMRE8 |
|---|---|
| InChI | InChI=1S/C19H24F3N3O3S/c1-3-5-10-15(26)24-18(19(20,21)22,17(27)28-4-2)25-16-13(11-23)12-8-6-7-9-14(12)29-16/h25H,3-10H2,1-2H3,(H,24,26) |
| InChIKey | KJNMVACUDHDZOI-UHFFFAOYSA-N |
| Mol Weight | 431.47 g/mol |
| Molecular Formula | C19H24F3N3O3S |
| Exact Mass | 431.149047 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kii8M9PYew3 |
|---|---|
| Name | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(1-oxopentylamino)propanoic acid ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H24F3N3O3S |
| InChI | InChI=1S/C19H24F3N3O3S/c1-3-5-10-15(26)24-18(19(20,21)22,17(27)28-4-2)25-16-13(11-23)12-8-6-7-9-14(12)29-16/h25H,3-10H2,1-2H3,(H,24,26) |
| InChIKey | KJNMVACUDHDZOI-UHFFFAOYSA-N |
| Molecular Weight | 431.474 g/mol |
| SMILES | N(c1c(c2CCCCc2s1)C#N)C(C(F)(F)F)(NC(=O)CCCC)C(=O)OCC |
| SPLASH | splash10-056r-9811000000-dc3ac90131be6360a66d |
| Synonyms | 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(valerylamino)propionic acid ethyl ester Ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate Ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate Ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(pentanoylamino)propanoate Ethyl 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate |
| Wiley ID | 1458910 |