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ethyl 6-ethyl-2-{[(2E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 6-ethyl-2-{[(2E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID By7HKGgJgYE
InChI InChI=1S/C22H29N3O3S/c1-5-15-8-10-17-18(12-15)29-21(20(17)22(27)28-7-3)24-19(26)11-9-16-13-23-25(6-2)14(16)4/h9,11,13,15H,5-8,10,12H2,1-4H3,(H,24,26)/b11-9+
InChIKey KLWVXDLTGDOYRW-PKNBQFBNSA-N
Mol Weight 415.55 g/mol
Molecular Formula C22H29N3O3S
Exact Mass 415.192963 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7YP45lKDzXl
Name ethyl 6-ethyl-2-{[(2E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-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/C22H29N3O3S/c1-5-15-8-10-17-18(12-15)29-21(20(17)22(27)28-7-3)24-19(26)11-9-16-13-23-25(6-2)14(16)4/h9,11,13,15H,5-8,10,12H2,1-4H3,(H,24,26)/b11-9+
InChIKey KLWVXDLTGDOYRW-PKNBQFBNSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3769
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: 9318965; UBI_ID: UBI-003770
Synonyms ethyl 6-ethyl-2-{[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 313 °C