| SpectraBase Spectrum ID |
xto7EqdJ02 |
| Name |
4-{[((2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C29H25N3O8S/c1-2-38-28(37)19-6-10-21(11-7-19)31-29-32(15-17-3-12-22-23(13-17)40-16-39-22)25(33)14-24(41-29)26(34)30-20-8-4-18(5-9-20)27(35)36/h3-13,24H,2,14-16H2,1H3,(H,30,34)(H,35,36)/b31-29- |
| InChIKey |
YYQAHDQTDJPSJN-YCNYHXFESA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_2343 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: D02426; Labnumber: MPOL-13201; SBI_ID: SBI-002345 |
| Synonyms |
4-{[(3-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid |
| Temperature |
318 °C |
![4-{[((2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid](/api/spectrum/xto7EqdJ02/structure.png?h=300&w=458 "4-{[((2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid")
