| SpectraBase Spectrum ID |
Fw7BxhbWB7T |
| Name |
Ethyl 4-({(2Z)-4-oxo-3-(2-phenylethyl)-6-[(4-propoxyanilino)carbonyl]tetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.214092344 u |
| Formula |
C31H33N3O5S |
| InChI |
InChI=1S/C31H33N3O5S/c1-3-20-39-26-16-14-24(15-17-26)32-29(36)27-21-28(35)34(19-18-22-8-6-5-7-9-22)31(40-27)33-25-12-10-23(11-13-25)30(37)38-4-2/h5-17,27H,3-4,18-21H2,1-2H3,(H,32,36)/b33-31- |
| InChIKey |
XMXXTDIHNVREEV-FPODKLOTSA-N |
| Molecular Weight |
559.681 g/mol |
| SMILES |
N(C(C1CC(N(\C(S1)=N\C=1C=CC(C(=O)OCC)=CC1)CCC1=CC=CC=C1)=O)=O)C1=CC=C(C=C1)OCCC |
![ethyl 4-({(2Z)-4-oxo-3-(2-phenylethyl)-6-[(4-propoxyanilino)carbonyl]tetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate](/api/spectrum/Fw7BxhbWB7T/structure.png?h=300&w=458 "ethyl 4-({(2Z)-4-oxo-3-(2-phenylethyl)-6-[(4-propoxyanilino)carbonyl]tetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate")
