benzoic acid, 4-[[[5,6-dihydro-2-[(4-pyridinylmethyl)amino]-4H-cyclopenta[b]thien-3-yl]carbonyl]amino]-, ethyl ester

SpectraBase Compound ID	LYuesXXER5P
InChI	InChI=1S/C23H23N3O3S/c1-2-29-23(28)16-6-8-17(9-7-16)26-21(27)20-18-4-3-5-19(18)30-22(20)25-14-15-10-12-24-13-11-15/h6-13,25H,2-5,14H2,1H3,(H,26,27)
InChIKey	LFDDPXFWWPSBMH-UHFFFAOYSA-N Google Search
Mol Weight	421.52 g/mol
Molecular Formula	C23H23N3O3S
Exact Mass	421.146013 g/mol

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SpectraBase Spectrum ID	9PbgLJK0zDc
Name	benzoic acid, 4-[[[5,6-dihydro-2-[(4-pyridinylmethyl)amino]-4H-cyclopenta[b]thien-3-yl]carbonyl]amino]-, ethyl ester
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/C23H23N3O3S/c1-2-29-23(28)16-6-8-17(9-7-16)26-21(27)20-18-4-3-5-19(18)30-22(20)25-14-15-10-12-24-13-11-15/h6-13,25H,2-5,14H2,1H3,(H,26,27)
InChIKey	LFDDPXFWWPSBMH-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_6676
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/12219985