| SpectraBase Spectrum ID |
KSG2IGd809Q |
| Name |
5-Benzoyl-3-phenyl-2-[[(E)-1,2-bis(methoxycarbonyl)vinyl]-imino]-2,3-dihydro-1,3,4-thiadiazole |
| Alternate Name(s) |
dimethyl (2E)-2-[((2Z)-5-benzoyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)amino]-2-butenedioate |
| 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-GRCYUMIOSA-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-0900000000-0d3b852f8d1294755777 |
| Source of Spectrum |
AJ-62-216-9 |
| Wiley ID |
1378916 |
![5-Benzoyl-3-phenyl-2-[[(E)-1,2-bis(methoxycarbonyl)vinyl]-imino]-2,3-dihydro-1,3,4-thiadiazole](/api/spectrum/KSG2IGd809Q/structure.png?h=300&w=458 "5-Benzoyl-3-phenyl-2-[[(E)-1,2-bis(methoxycarbonyl)vinyl]-imino]-2,3-dihydro-1,3,4-thiadiazole")
