| SpectraBase Spectrum ID |
Ld4fpIRVjT1 |
| Name |
2-(2-cyano-3-mercapto-3-[phenylamino]acrylamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Appearance |
Pale yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20N4O2S2 |
| InChI |
InChI=1S/C20H20N4O2S2/c21-11-14(19(27)23-12-7-3-1-4-8-12)18(26)24-20-16(17(22)25)13-9-5-2-6-10-15(13)28-20/h1,3-4,7-8,23,27H,2,5-6,9-10H2,(H2,22,25)(H,24,26) |
| InChIKey |
MPDXKKJXLAINNL-UHFFFAOYSA-N |
| Instrument Name |
Kratos MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4085 |
| Molecular Weight |
412.526 g/mol |
| SMILES |
NC(c1c2CCCCCc2sc1NC(C(=C(S)Nc1ccccc1)C#N)=O)=O |
| SPLASH |
splash10-0a4i-0090000000-e0ef2b922828538142d6 |
| Source of Spectrum |
Y-57-3669-7 |
| Wiley ID |
1859860 |
![2-(2-cyano-3-mercapto-3-[phenylamino]acrylamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide](/api/spectrum/Ld4fpIRVjT1/structure.png?h=300&w=458 "2-(2-cyano-3-mercapto-3-[phenylamino]acrylamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide")
