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

SpectraBase Compound ID	7OKK4Hi464b
InChI	InChI=1S/C21H27N3O3S/c1-5-14-7-9-16-17(11-14)28-20(19(16)21(26)27-6-2)23-18(25)10-8-15-12-22-24(4)13(15)3/h8,10,12,14H,5-7,9,11H2,1-4H3,(H,23,25)/b10-8+
InChIKey	AVJVQLJYWGXAKG-CSKARUKUSA-N Google Search
Mol Weight	401.53 g/mol
Molecular Formula	C21H27N3O3S
Exact Mass	401.177313 g/mol

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SpectraBase Spectrum ID	6qLwYRne1l
Name	ethyl 2-{[(2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-6-ethyl-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/C21H27N3O3S/c1-5-14-7-9-16-17(11-14)28-20(19(16)21(26)27-6-2)23-18(25)10-8-15-12-22-24(4)13(15)3/h8,10,12,14H,5-7,9,11H2,1-4H3,(H,23,25)/b10-8+
InChIKey	AVJVQLJYWGXAKG-CSKARUKUSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3021
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: 9313671; UBI_ID: UBI-003022
Synonyms	ethyl 2-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	318 °C