alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-3,3,3-trifluoro-2-[(1-oxopentyl)amino]-, ethyl ester

SpectraBase Compound ID	DIQ3RPcqPKk
InChI	InChI=1S/C18H24F3N3O3S/c1-5-8-9-14(25)23-17(18(19,20)21,16(26)27-7-3)24-15-13(10-22)12(6-2)11(4)28-15/h24H,5-9H2,1-4H3,(H,23,25)
InChIKey	MMPQYKHFKHEWDQ-UHFFFAOYSA-N Google Search
Mol Weight	419.46 g/mol
Molecular Formula	C18H24F3N3O3S
Exact Mass	419.149047 g/mol

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SpectraBase Spectrum ID	6ctIxd1DcJz
Name	2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-(valerylamino)propionic acid ethyl ester
Alternate Name(s)	2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-3,3,3-trifluoro-2-(1-oxopentylamino)propanoic acid ethyl ester Ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(pentanoylamino)propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H24F3N3O3S
InChI	InChI=1S/C18H24F3N3O3S/c1-5-8-9-14(25)23-17(18(19,20)21,16(26)27-7-3)24-15-13(10-22)12(6-2)11(4)28-15/h24H,5-9H2,1-4H3,(H,23,25)
InChIKey	MMPQYKHFKHEWDQ-UHFFFAOYSA-N
Molecular Weight	419.463 g/mol
SMILES	N(c1c(c(CC)c(s1)C)C#N)C(C(F)(F)F)(NC(=O)CCCC)C(=O)OCC
SPLASH	splash10-014i-9711000000-b1890434152a6a564ca9
Wiley ID	1458912