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

SpectraBase Compound ID	AOj90toApuq
InChI	InChI=1S/C20H25N3O3S/c1-12(2)26-20(25)18-15-7-5-6-8-16(15)27-19(18)22-17(24)10-9-14-11-21-23(4)13(14)3/h9-12H,5-8H2,1-4H3,(H,22,24)/b10-9+
InChIKey	TVXBMWZHYNAGFU-MDZDMXLPSA-N Google Search
Mol Weight	387.5 g/mol
Molecular Formula	C20H25N3O3S
Exact Mass	387.161663 g/mol

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SpectraBase Spectrum ID	Gz7javpQBQm
Name	isopropyl 2-{[(2E)-3-(1,5-dimethyl-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/C20H25N3O3S/c1-12(2)26-20(25)18-15-7-5-6-8-16(15)27-19(18)22-17(24)10-9-14-11-21-23(4)13(14)3/h9-12H,5-8H2,1-4H3,(H,22,24)/b10-9+
InChIKey	TVXBMWZHYNAGFU-MDZDMXLPSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3188
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: 9315602; UBI_ID: UBI-003189
Synonyms	isopropyl 2-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C