| SpectraBase Spectrum ID |
1mF96Q0nP7k |
| Name |
(E)-5-Cyano-4-[(2-ethoxy-1-methylmercaptoethyl-2-oxoethyl)amino]-2-(N.N-dimethylimmonio)ethylidene-6-oxido-1,3-oxazine |
| Alternate Name(s) |
(2E)-5-cyano-2-[2-(dimethyliminio)ethylidene]-4-{[1-(ethoxycarbonyl)-3-(methylsulfanyl)propyl]amino}-2H-1,3-oxazin-6-olate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22N4O4S |
| InChI |
InChI=1S/C16H22N4O4S/c1-5-23-16(22)12(7-9-25-4)18-14-11(10-17)15(21)24-13(19-14)6-8-20(2)3/h6,8,12H,5,7,9H2,1-4H3,(H,18,21) |
| InChIKey |
CROPFNDQOSFFGV-UHFFFAOYSA-N |
| Molecular Weight |
366.436 g/mol |
| SMILES |
N(C=1C(=C([O-])O\C(N1)=C\C=[N+](C)C)C#N)C(C(=O)OCC)CCSC |
| SPLASH |
splash10-0002-9000000000-3ec5d8d84892b4c80902 |
| Source of Spectrum |
H1-51-2902-7 |
| Wiley ID |
817454 |
![(E)-5-CYANO-2-(N,N-DIMETHYLIMMONIO)-ETHYLIDENE-4-[(2-ETHOXY-1-METHYLMERCAPTOETHYL-2-OXOETHYL)-AMINO]-6-OXIDO-1,3-OXAZINE](/api/spectrum/1mF96Q0nP7k/structure.png?h=300&w=458 "(E)-5-CYANO-2-(N,N-DIMETHYLIMMONIO)-ETHYLIDENE-4-[(2-ETHOXY-1-METHYLMERCAPTOETHYL-2-OXOETHYL)-AMINO]-6-OXIDO-1,3-OXAZINE")
