Methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate

SpectraBase Compound ID	FETRb4BRXrp
InChI	InChI=1S/C21H20F3N3O3S/c1-30-19(29)20(21(22,23)24,26-17(28)11-13-7-3-2-4-8-13)27-18-15(12-25)14-9-5-6-10-16(14)31-18/h2-4,7-8,27H,5-6,9-11H2,1H3,(H,26,28)
InChIKey	UHXDRWGRMOBQEE-UHFFFAOYSA-N Google Search
Mol Weight	451.46 g/mol
Molecular Formula	C21H20F3N3O3S
Exact Mass	451.117747 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	6brxGsaVt8X
Name	Methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H20F3N3O3S
InChI	InChI=1S/C21H20F3N3O3S/c1-30-19(29)20(21(22,23)24,26-17(28)11-13-7-3-2-4-8-13)27-18-15(12-25)14-9-5-6-10-16(14)31-18/h2-4,7-8,27H,5-6,9-11H2,1H3,(H,26,28)
InChIKey	UHXDRWGRMOBQEE-UHFFFAOYSA-N
Molecular Weight	451.464 g/mol
SMILES	N(C(=O)Cc1ccccc1)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCC2)C(OC)=O
SPLASH	splash10-00mo-7954000000-ad6e83252410520500d8
Source of Spectrum	IY-2-5052-0
Synonyms	Propanoic acid, 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]-, methyl ester 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(1-oxo-2-phenylethyl)amino]propanoic acid methyl ester Methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate Methyl 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate Methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(2-phenylethanoylamino)propanoate
Wiley ID	1658503