| SpectraBase Spectrum ID |
2EBn2s0h1ls |
| Name |
Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-ethoxycarbonyl-2,2,2-trifluoro-1-(3-fluorobenzoylamino)ethylamino)-, methyl ester |
| CAS Registry Number |
309731-54-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22F4N2O5S |
| InChI |
InChI=1S/C22H22F4N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-7-6-8-13(23)11-12)28-18-16(19(30)32-2)14-9-4-5-10-15(14)34-18/h6-8,11,28H,3-5,9-10H2,1-2H3,(H,27,29) |
| InChIKey |
XVMOCOGQXSSCMM-UHFFFAOYSA-N |
| Molecular Weight |
502.481 g/mol |
| SMILES |
N(c1c(c2CCCCc2s1)C(=O)OC)C(NC(c1cc(F)ccc1)=O)(C(F)(F)F)C(=O)OCC |
| SPLASH |
splash10-00di-5920010000-ebd92f3eb8f5ea2b6cc6 |
| Source of Spectrum |
AD-0-2532-0 |
| Synonyms |
2-[[1-carbethoxy-2,2,2-trifluoro-1-[(3-fluorobenzoyl)amino]ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
2-[[3-ethoxy-1,1,1-trifluoro-2-[[(3-fluorophenyl)-oxomethyl]amino]-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
Methyl 2-((1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(3-fluorobenzoyl)amino]ethyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Methyl 2-[[1-ethoxycarbonyl-2,2,2-trifluoro-1-[(3-fluorobenzoyl)amino]ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Methyl 2-[[3-ethoxy-1,1,1-trifluoro-2-[(3-fluorobenzoyl)amino]-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Methyl 2-[[3-ethoxy-1,1,1-tris(fluoranyl)-2-[(3-fluorophenyl)carbonylamino]-3-oxidanylidene-propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Wiley ID |
1429404 |
