![1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-1-(methoxycarbonyl)-2-oxo-3-[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]-, methyl ester](/api/spectrum/63IKggdKHIg/structure.png?h=300&w=458 "1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-1-(methoxycarbonyl)-2-oxo-3-[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]-, methyl ester")
| SpectraBase Compound ID | 8VcWgVOHpaA |
|---|---|
| InChI | InChI=1S/C17H20F6N2O6S/c1-30-10(26)6-4-3-5-9-11-8(7-32-9)24(15(29)31-2)14(28)25(11)13(27)12(16(18,19)20)17(21,22)23/h8-9,11-12H,3-7H2,1-2H3 |
| InChIKey | BYGNXMWDXQNXDG-UHFFFAOYSA-N |
| Mol Weight | 494.41 g/mol |
| Molecular Formula | C17H20F6N2O6S |
| Exact Mass | 494.094627 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 63IKggdKHIg |
|---|---|
| Name | 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-1-(methoxycarbonyl)-2-oxo-3-[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]-, methyl ester |
| CAS Registry Number | 67845-11-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20F6N2O6S |
| InChI | InChI=1S/C17H20F6N2O6S/c1-30-10(26)6-4-3-5-9-11-8(7-32-9)24(15(29)31-2)14(28)25(11)13(27)12(16(18,19)20)17(21,22)23/h8-9,11-12H,3-7H2,1-2H3 |
| InChIKey | BYGNXMWDXQNXDG-UHFFFAOYSA-N |
| Molecular Weight | 494.405 g/mol |
| SMILES | C1(N(C2C(N1C(=O)OC)CSC2CCCCC(=O)OC)C(C(C(F)(F)F)C(F)(F)F)=O)=O |
| SPLASH | splash10-066s-9600000000-3edcef065f3137009681 |
| Source of Spectrum | J-43-4959-0 |
| Synonyms | 1H-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-1-(methoxycarbonyl)-2-oxo-3-[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]-, methyl est Methyl 4-(5-methoxy-5-oxopentyl)-2-oxo-3-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]hexahydro-1H-thieno[3,4-d]imidazole-1-carboxylate N'-carbomethoxybiotin methyl ester:bis(trifluoromethyl)ketene adduct 4-(5-Methoxy-5-oxopentyl)-2-oxo-3-[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-1-carboxylic acid methyl ester Methyl 4-(5-methoxy-5-oxopentyl)-2-oxo-3-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-1-carboxylate Methyl 4-(5-methoxy-5-oxo-pentyl)-2-oxo-3-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-1-carboxylate Methyl 4-(5-methoxy-5-oxidanylidene-pentyl)-2-oxidanylidene-3-[3,3,3-tris(fluoranyl)-2-(trifluoromethyl)propanoyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-1-carboxylate |
| Wiley ID | 1397793 |