| SpectraBase Spectrum ID |
8bPwiI6cwf7 |
| Name |
2-[[[2-(1-azepanyl)-5-nitrophenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27N3O5S |
| InChI |
InChI=1S/C22H27N3O5S/c1-4-30-22(27)19-14(2)15(3)31-21(19)23-20(26)17-13-16(25(28)29)9-10-18(17)24-11-7-5-6-8-12-24/h9-10,13H,4-8,11-12H2,1-3H3,(H,23,26) |
| InChIKey |
XGPZZOMTNWMZPP-UHFFFAOYSA-N |
| Molecular Weight |
445.534 g/mol |
| SMILES |
N(C(c1c(N2CCCCCC2)ccc(N(=O)=O)c1)=O)c1c(c(C)c(s1)C)C(=O)OCC |
| SPLASH |
splash10-0f6t-2920000000-7588a08add37f6dc3745 |
| Synonyms |
Ethyl 2-[[2-(azepan-1-yl)-5-nitro-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate
Ethyl 2-[[2-(azepan-1-yl)-5-nitro-phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate
Ethyl 2-[[2-(azepan-1-yl)-5-nitrobenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate |
| Wiley ID |
1448105 |
![2-[[[2-(1-azepanyl)-5-nitrophenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester](/api/spectrum/8bPwiI6cwf7/structure.png?h=300&w=458 "2-[[[2-(1-azepanyl)-5-nitrophenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester")
