| SpectraBase Spectrum ID |
Al4l2nCUWLP |
| Name |
2-[[(4Z)-1-butyl-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]acetic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.119463683 u |
| Formula |
C17H20N2O3S |
| InChI |
InChI=1S/C17H20N2O3S/c1-3-4-10-19-16(21)14(11-13-8-6-5-7-9-13)18-17(19)23-12-15(20)22-2/h5-9,11H,3-4,10,12H2,1-2H3/b14-11- |
| InChIKey |
IYNGVYKDMLCQGS-KAMYIIQDSA-N |
| Molecular Weight |
332.418 g/mol |
| SMILES |
C=1(N(C(\C(N1)=C\C=1C=CC=CC1)=O)CCCC)SCC(=O)OC |
![2-[[(4Z)-1-butyl-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]acetic acid methyl ester](/api/spectrum/Al4l2nCUWLP/structure.png?h=300&w=458 "2-[[(4Z)-1-butyl-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]acetic acid methyl ester")
