| SpectraBase Spectrum ID |
4BeqbclMaWD |
| Name |
Quinoline-3-carboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(2-thienyl)-, 2-ethylthioethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.111935950 u |
| Formula |
C19H23NO3S2 |
| InChI |
InChI=1S/C19H23NO3S2/c1-3-24-10-8-23-19(22)16-12(2)20-14-5-4-6-15(21)18(14)17(16)13-7-9-25-11-13/h7,9,11,17,20H,3-6,8,10H2,1-2H3 |
| InChIKey |
XYOJOPIZDZSDRO-UHFFFAOYSA-N |
| Molecular Weight |
377.517 g/mol |
| SMILES |
C=1(C(C=2C(=O)CCCC2NC1C)C1=CSC=C1)C(=O)OCCSCC |
