SpectraBase Spectrum ID |
98zbuzjeFT5 |
Name |
2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[4-(4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-, diethyl ester |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C18H22N4O7S |
InChI |
InChI=1S/C18H22N4O7S/c1-4-28-17(24)14-11(3)15(18(25)29-5-2)30-16(14)20-13(23)7-6-8-21-10-12(9-19-21)22(26)27/h9-10H,4-8H2,1-3H3,(H,20,23) |
InChIKey |
LDJXOKYGPKHWRX-UHFFFAOYSA-N |
Molecular Weight |
438.455 g/mol |
SMILES |
N(c1c(c(C)c(s1)C(=O)OCC)C(=O)OCC)C(=O)CCC[n]1cc(N(=O)=O)cn1 |
SPLASH |
splash10-00lu-9600000000-22e3abf5fa26d5ad1ff6 |
Source of Spectrum |
IY-1-4682-3 |
Synonyms |
3-Methyl-5-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester
Diethyl 3-methyl-5-[4-(4-nitropyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate |
Wiley ID |
1654806 |