| SpectraBase Spectrum ID |
AyKem6bn8yr |
| Name |
Dimethyl (E,Z)-2-{N-[2-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thienyl)]amino}butenedioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.083078173 u |
| Formula |
C15H16N2O4S |
| InChI |
InChI=1S/C15H16N2O4S/c1-20-13(18)7-11(15(19)21-2)17-14-10(8-16)9-5-3-4-6-12(9)22-14/h7,17H,3-6H2,1-2H3/b11-7- |
| InChIKey |
UOMXIHPMDNVHES-XFFZJAGNSA-N |
| Molecular Weight |
320.363 g/mol |
| SMILES |
C1(=C(C=2CCCCC2S1)C#N)N\C(=C/C(=O)OC)C(=O)OC |
![Dimethyl (E,Z)-2-{N-[2-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thienyl)]amino}butenedioate](/api/spectrum/AyKem6bn8yr/structure.png?h=300&w=458 "Dimethyl (E,Z)-2-{N-[2-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thienyl)]amino}butenedioate")
