| SpectraBase Spectrum ID |
G0bkDYISuEG |
| Name |
(E)-4-(5-Carbamoyl-pyridin-3-yl)-3-[1-(toluene-4-sulfonyl)-1H-imidazol-4-yl]-but-2-enoic acid ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22N4O5S |
| InChI |
InChI=1S/C22H22N4O5S/c1-3-31-21(27)10-17(8-16-9-18(22(23)28)12-24-11-16)20-13-26(14-25-20)32(29,30)19-6-4-15(2)5-7-19/h4-7,9-14H,3,8H2,1-2H3,(H2,23,28)/b17-10+ |
| InChIKey |
QRRLYULZGOJJDK-LICLKQGHSA-N |
| Molecular Weight |
454.501 g/mol |
| SMILES |
NC(c1cc(C\C(c2c[n](S(c3ccc(cc3)C)(=O)=O)cn2)=C/C(=O)OCC)cnc1)=O |
| SPLASH |
splash10-0006-9000000000-a93d8d7baa339a1733f7 |
| Source of Spectrum |
QE-3-415-19 |
| Synonyms |
(E)-Ethyl 3,3-[1-(p-Tolylsulfamoyl)imidazol-4-yl][(3-carbamoylpyrid-5-yl)methyl]acrylate
(E)-Ethyl 3,3-[1-(p-Tolylsulfonyl)imidazol-4-yl][(3-carbamoylpyrid-5-yl)methyl]acrylate
ethyl (2E)-4-[5-(aminocarbonyl)-3-pyridinyl]-3-{1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}-2-butenoate |
| Wiley ID |
843000 |
![(E)-4-(5-Carbamoyl-pyridin-3-yl)-3-[1-(toluene-4-sulfonyl)-1H-imidazol-4-yl]-but-2-enoic acid ethyl ester](/api/spectrum/G0bkDYISuEG/structure.png?h=300&w=458 "(E)-4-(5-Carbamoyl-pyridin-3-yl)-3-[1-(toluene-4-sulfonyl)-1H-imidazol-4-yl]-but-2-enoic acid ethyl ester")
