SpectraBase Spectrum ID |
ATlKu105CbA |
Name |
ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
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/C29H31N5O4S2/c1-5-38-28(37)25-21-12-11-17(2)13-23(21)40-26(25)31-24(35)16-39-29-30-22(14-19-15-33(4)32-18(19)3)27(36)34(29)20-9-7-6-8-10-20/h6-10,14-15,17H,5,11-13,16H2,1-4H3,(H,31,35)/b22-14+ |
InChIKey |
OYTIZXPSKKKHNK-HYARGMPZSA-N |
NMR Offset |
15.3537 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UZI_26187_11616 |
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: UZI/1266057; Labnumber: NIV1668; UZI_ID: UZI-011618 |
Synonyms |
ethyl 2-{[({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Temperature |
308 °C |