| SpectraBase Spectrum ID |
E41f7wuwd7f |
| Name |
4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[4-(4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-, methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N4O5S |
| InChI |
InChI=1S/C18H22N4O5S/c1-27-18(24)16-13-6-3-2-4-7-14(13)28-17(16)20-15(23)8-5-9-21-11-12(10-19-21)22(25)26/h10-11H,2-9H2,1H3,(H,20,23) |
| InChIKey |
AQAQLMVHWVAOLW-UHFFFAOYSA-N |
| Molecular Weight |
406.457 g/mol |
| SMILES |
N(c1c(c2CCCCCc2s1)C(=O)OC)C(=O)CCC[n]1cc(N(=O)=O)cn1 |
| SPLASH |
splash10-001l-4910000000-8a7680a7d6b2596cf98f |
| Source of Spectrum |
IY-1-4526-8 |
| Synonyms |
2-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
Methyl 2-[4-(4-nitropyrazol-1-yl)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Wiley ID |
1653251 |
![4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[4-(4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-, methyl ester](/api/spectrum/E41f7wuwd7f/structure.png?h=300&w=458 "4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[4-(4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-, methyl ester")
