| SpectraBase Spectrum ID |
84sBywRJNh0 |
| Name |
1-Benzothiophene-2-carboxylic acid, 6-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-[(2,2,2-trifluoroacetyl)amino]-, methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H15F3N2O6S2 |
| InChI |
InChI=1S/C21H15F3N2O6S2/c1-30-19(28)18-17(26-20(29)21(22,23)24)12-4-3-11(7-15(12)34-18)33-8-16(27)25-10-2-5-13-14(6-10)32-9-31-13/h2-7H,8-9H2,1H3,(H,25,27)(H,26,29) |
| InChIKey |
ABVKNCXIPTZTNJ-UHFFFAOYSA-N |
| Molecular Weight |
512.474 g/mol |
| SMILES |
N(c1c(sc2c1ccc(SCC(=O)Nc1ccc3c(c1)OCO3)c2)C(OC)=O)C(=O)C(F)(F)F |
| SPLASH |
splash10-000i-6910000000-bfb07397956367dfdcb4 |
| Source of Spectrum |
IY-2-5050-3 |
| Synonyms |
Methyl 6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
6-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-benzothiophene-2-carboxylic acid methyl ester
Methyl 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-3-[(2,2,2-trifluoroacetyl)amino]-1-benzothiophene-2-carboxylate
Methyl 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-3-[(2,2,2-trifluoroacetyl)amino]benzothiophene-2-carboxylate
Methyl 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]-1-benzothiophene-2-carboxylate |
| Wiley ID |
1658486 |
![1-Benzothiophene-2-carboxylic acid, 6-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-[(2,2,2-trifluoroacetyl)amino]-, methyl ester](/api/spectrum/84sBywRJNh0/structure.png?h=300&w=458 "1-Benzothiophene-2-carboxylic acid, 6-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-[(2,2,2-trifluoroacetyl)amino]-, methyl ester")
