ethyl 2-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	4a9gzKLF6kt
InChI	InChI=1S/C22H23N3O3S/c1-3-28-22(27)19-16-11-7-8-12-18(16)29-20(19)23-13-17-14(2)24-25(21(17)26)15-9-5-4-6-10-15/h4-6,9-10,13,23H,3,7-8,11-12H2,1-2H3/b17-13-
InChIKey	SZVZGMCVCFVERM-LGMDPLHJSA-N Google Search
Mol Weight	409.5 g/mol
Molecular Formula	C22H23N3O3S
Exact Mass	409.146013 g/mol

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SpectraBase Spectrum ID	532L9FftzHy
Name	ethyl 2-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]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/C22H23N3O3S/c1-3-28-22(27)19-16-11-7-8-12-18(16)29-20(19)23-13-17-14(2)24-25(21(17)26)15-9-5-4-6-10-15/h4-6,9-10,13,23H,3,7-8,11-12H2,1-2H3/b17-13-
InChIKey	SZVZGMCVCFVERM-LGMDPLHJSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_4779
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/6205549; Labnumber: BM-115864; UZI_ID: UZI-004781
Synonyms	ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C