Propionic acid, 2-benzoylamino-2-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylamino)-3,3,3-trifluoro-, methyl ester

SpectraBase Compound ID	KCieYuhLNkk
InChI	InChI=1S/C19H16F3N3O3S/c1-28-17(27)18(19(20,21)22,24-15(26)11-6-3-2-4-7-11)25-16-13(10-23)12-8-5-9-14(12)29-16/h2-4,6-7,25H,5,8-9H2,1H3,(H,24,26)
InChIKey	AXARBYROGSCRCP-UHFFFAOYSA-N Google Search
Mol Weight	423.41 g/mol
Molecular Formula	C19H16F3N3O3S
Exact Mass	423.086447 g/mol

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SpectraBase Spectrum ID	IXcizbcxs2r
Name	methyl 2-(benzoylamino)-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]-3,3,3-trifluoropropanoate
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/C19H16F3N3O3S/c1-28-17(27)18(19(20,21)22,24-15(26)11-6-3-2-4-7-11)25-16-13(10-23)12-8-5-9-14(12)29-16/h2-4,6-7,25H,5,8-9H2,1H3,(H,24,26)
InChIKey	AXARBYROGSCRCP-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_2613
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: NMR/9313151; Labnumber: AU-T000736