SpectraBase Spectrum ID |
CVGZmCD5k20 |
Name |
N-[4-(2'-Methoxycarbonylethoxy)-5-methoxy-2-nitrobenzoyl]-pyrrolidin-2-carbaldehyde Diethyl Thioacetal |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H30N2O7S2 |
InChI |
InChI=1S/C21H30N2O7S2/c1-5-31-21(32-6-2)15-8-7-10-22(15)20(25)14-12-17(28-3)18(13-16(14)23(26)27)30-11-9-19(24)29-4/h12-13,15,21H,5-11H2,1-4H3 |
InChIKey |
WYVOAWDAULSVTK-UHFFFAOYSA-N |
Molecular Weight |
486.598 g/mol |
SMILES |
c1(C(N2C(C(SCC)SCC)CCC2)=O)c(N(=O)=O)cc(c(c1)OC)OCCC(=O)OC |
SPLASH |
splash10-001i-4093000000-5bfeac5f481b165f8cc8 |
Source of Spectrum |
F2-42-1958-14 |
Synonyms |
Methyl 3-[4-({2-[bis(ethylsulfanyl)methyl]-1-pyrrolidinyl}carbonyl)-2-methoxy-5-nitrophenoxy]propanoate |
Wiley ID |
1600177 |