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

SpectraBase Compound ID	4v5PBxBWKVA
InChI	InChI=1S/C16H21F3N4O3S/c1-6-10-9(3)27-12(11(10)8-20)21-15(16(17,18)19,13(24)26-7-2)22-14(25)23(4)5/h21H,6-7H2,1-5H3,(H,22,25)
InChIKey	HHJJXGKDGJKDAG-UHFFFAOYSA-N Google Search
Mol Weight	406.42 g/mol
Molecular Formula	C16H21F3N4O3S
Exact Mass	406.128646 g/mol

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SpectraBase Spectrum ID	80yoL0bYVrF
Name	Ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-2-([(dimethylamino)carbonyl]amino)-3,3,3-trifluoropropanoate
Alternate Name(s)	2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoro-propionic acid ethyl ester 2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-2-[[dimethylamino(oxo)methyl]amino]-3,3,3-trifluoropropanoic acid ethyl ester Ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoro-propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-tris(fluoranyl)propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate Propanoic acid, 2-(3-cyano-4-ethyl-5-methyl-2-thienylamino)-3,3,3-trifluoro-2-(dimethylaminocarbonylamino)-, ethyl ester
CAS Registry Number	299922-90-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H21F3N4O3S
InChI	InChI=1S/C16H21F3N4O3S/c1-6-10-9(3)27-12(11(10)8-20)21-15(16(17,18)19,13(24)26-7-2)22-14(25)23(4)5/h21H,6-7H2,1-5H3,(H,22,25)
InChIKey	HHJJXGKDGJKDAG-UHFFFAOYSA-N
Molecular Weight	406.424 g/mol
SMILES	N(C(Nc1c(c(CC)c(s1)C)C#N)(C(F)(F)F)C(=O)OCC)C(N(C)C)=O
SPLASH	splash10-00di-9400000000-dc465c9654d51c61a848
Source of Spectrum	AD-0-2532-0
Wiley ID	1419382