| SpectraBase Spectrum ID |
LQCWdVkFvBt |
| Name |
5-[5-(3,5-Dicarbethoxy-4-methyl-1H-pyrrol-2-yl)-2-thienyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.172287100 u |
| Formula |
C26H30N2O8S |
| InChI |
InChI=1S/C26H30N2O8S/c1-7-33-23(29)17-13(5)19(25(31)35-9-3)27-21(17)15-11-12-16(37-15)22-18(24(30)34-8-2)14(6)20(28-22)26(32)36-10-4/h11-12,27-28H,7-10H2,1-6H3 |
| InChIKey |
DSWPCPUIJMMKAM-UHFFFAOYSA-N |
| Molecular Weight |
530.592 g/mol |
| SMILES |
C1(=C(NC(=C1C)C(=O)OCC)C=1SC(C2=C(C(C)=C(N2)C(=O)OCC)C(=O)OCC)=CC1)C(=O)OCC |
![5-[5-(3,5-dicarbethoxy-4-methyl-1H-pyrrol-2-yl)-2-thienyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester](/api/spectrum/LQCWdVkFvBt/structure.png?h=300&w=458 "5-[5-(3,5-dicarbethoxy-4-methyl-1H-pyrrol-2-yl)-2-thienyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester")
