| SpectraBase Spectrum ID |
KZw7hxnWw9m |
| Name |
3-[5-[(Z)-[3,3-dimethyl-5-(methylthio)-1-pyrrolin-2-ylidene]methyl]-2-formyl-4-(2-keto-2-methoxy-ethyl)-1H-pyrrol-3-yl]propionic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26N2O5S |
| InChI |
InChI=1S/C20H26N2O5S/c1-20(2)10-17(28-5)22-16(20)9-14-13(8-19(25)27-4)12(15(11-23)21-14)6-7-18(24)26-3/h9,11,21H,6-8,10H2,1-5H3/b16-9- |
| InChIKey |
VBUKNDUKLHUKMR-SXGWCWSVSA-N |
| Molecular Weight |
406.497 g/mol |
| SMILES |
[nH]1c(c(c(c1\C=C\1N=C(SC)CC1(C)C)CC(=O)OC)CCC(=O)OC)C=O |
| SPLASH |
splash10-0a4i-0002900000-ec87787bfcad66530ca0 |
| Source of Spectrum |
KC-1992-2194-28 |
| Synonyms |
3-[5-[(Z)-[4,4-dimethyl-2-(methylthio)-3H-pyrrol-5-ylidene]methyl]-2-formyl-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoic acid methyl ester
methyl 3-[5-[(Z)-(4,4-dimethyl-2-methylsulfanyl-3H-pyrrol-5-ylidene)methyl]-2-formyl-4-(2-methoxy-2-oxo-ethyl)-1H-pyrrol-3-yl]propanoate
methyl 3-[5-[(Z)-(4,4-dimethyl-2-methylsulfanyl-3H-pyrrol-5-ylidene)methyl]-2-methanoyl-4-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate |
| Wiley ID |
776870 |
![3-[5-[(Z)-[3,3-dimethyl-5-(methylthio)-1-pyrrolin-2-ylidene]methyl]-2-formyl-4-(2-keto-2-methoxy-ethyl)-1H-pyrrol-3-yl]propionic acid methyl ester](/api/spectrum/KZw7hxnWw9m/structure.png?h=300&w=458 "3-[5-[(Z)-[3,3-dimethyl-5-(methylthio)-1-pyrrolin-2-ylidene]methyl]-2-formyl-4-(2-keto-2-methoxy-ethyl)-1H-pyrrol-3-yl]propionic acid methyl ester")
