methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propionylamino)propanoate

SpectraBase Compound ID	I1CoLxBhluR
InChI	InChI=1S/C16H18F3N3O4S/c1-4-12(23)21-15(13(24)25-3,16(17,18)19)22-14-20-10-7-6-9(26-5-2)8-11(10)27-14/h6-8H,4-5H2,1-3H3,(H,20,22)(H,21,23)
InChIKey	IAPUWMMVMPOVSB-UHFFFAOYSA-N Google Search
Mol Weight	405.39 g/mol
Molecular Formula	C16H18F3N3O4S
Exact Mass	405.097012 g/mol

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SpectraBase Spectrum ID	1yRbiLsKp6r
Name	methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(propionylamino)propanoate
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/C16H18F3N3O4S/c1-4-12(23)21-15(13(24)25-3,16(17,18)19)22-14-20-10-7-6-9(26-5-2)8-11(10)27-14/h6-8H,4-5H2,1-3H3,(H,20,22)(H,21,23)
InChIKey	IAPUWMMVMPOVSB-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_433
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: C27138; Labnumber: SOK-1057; SBI_ID: SBI-000435
Temperature	308 °C