![2-[[1-(carbethoxyamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester](/api/spectrum/1CFSdsQS3jm/structure.png?h=300&w=458 "2-[[1-(carbethoxyamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester")
| SpectraBase Compound ID | CH1L2W0wB3Q |
|---|---|
| InChI | InChI=1S/C17H20F6N2O4S/c1-3-29-14(27)25-15(16(18,19)20,17(21,22)23)24-12-11(13(26)28-2)9-7-5-4-6-8-10(9)30-12/h24H,3-8H2,1-2H3,(H,25,27) |
| InChIKey | IDKJMWZFPMNLBO-UHFFFAOYSA-N |
| Mol Weight | 462.41 g/mol |
| Molecular Formula | C17H20F6N2O4S |
| Exact Mass | 462.104797 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1CFSdsQS3jm |
|---|---|
| Name | 2-[[1-(carbethoxyamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20F6N2O4S |
| InChI | InChI=1S/C17H20F6N2O4S/c1-3-29-14(27)25-15(16(18,19)20,17(21,22)23)24-12-11(13(26)28-2)9-7-5-4-6-8-10(9)30-12/h24H,3-8H2,1-2H3,(H,25,27) |
| InChIKey | IDKJMWZFPMNLBO-UHFFFAOYSA-N |
| Molecular Weight | 462.407 g/mol |
| SMILES | N(c1c(c2CCCCCc2s1)C(=O)OC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F |
| SPLASH | splash10-01ox-7942000000-b0033a543823b80c2b1f |
| Synonyms | 2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Methyl 2-[[1-(ethoxycarbonylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Wiley ID | 1448107 |