SpectraBase Spectrum ID |
2sKukM03N9I |
Name |
5-benzoyl-3-phenyl-2[[(Z)-1,2-bis(methoxycarbonyl)vinyl]imino]-2,3-dihydro-1,3,4-thiadiazole |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H17N3O5S |
InChI |
InChI=1S/C21H17N3O5S/c1-28-17(25)13-16(20(27)29-2)22-21-24(15-11-7-4-8-12-15)23-19(30-21)18(26)14-9-5-3-6-10-14/h3-13H,1-2H3/b16-13-,22-21- |
InChIKey |
WQNMADWSDSQJHG-OCJCIRDASA-N |
Molecular Weight |
423.443 g/mol |
SMILES |
C=1(S\C(N(N1)c1ccccc1)=N/C(=C\C(=O)OC)C(=O)OC)C(=O)c1ccccc1 |
SPLASH |
splash10-0a4i-0900200000-aea397f5e81c1a92148f |
Source of Spectrum |
AJ-62-216-10 |
Synonyms |
dimethyl (2Z)-2-[((2Z)-5-benzoyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)amino]-2-butenedioate |
Wiley ID |
1378917 |