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

SpectraBase Compound ID	Jvmslqh5yNf
InChI	InChI=1S/C25H23ClN4O3S/c1-3-33-25(32)21-18-11-7-8-12-20(18)34-24(21)28-23(31)16(14-27)13-19-15(2)29-30(22(19)26)17-9-5-4-6-10-17/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,28,31)/b16-13+
InChIKey	UWFCEOZUKLGICP-DTQAZKPQSA-N Google Search
Mol Weight	495.0 g/mol
Molecular Formula	C25H23ClN4O3S
Exact Mass	494.117939 g/mol

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SpectraBase Spectrum ID	9UDx8f1egA0
Name	ethyl 2-{[(2E)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyano-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/C25H23ClN4O3S/c1-3-33-25(32)21-18-11-7-8-12-20(18)34-24(21)28-23(31)16(14-27)13-19-15(2)29-30(22(19)26)17-9-5-4-6-10-17/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,28,31)/b16-13+
InChIKey	UWFCEOZUKLGICP-DTQAZKPQSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14700
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: C25999; Labnumber: MAT3-0031; SBI_ID: SBI-014703
Synonyms	ethyl 2-{[3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyano-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	318 °C