Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

SpectraBase Compound ID	CzzGacz04W5
InChI	InChI=1S/C22H24F3N3O5S/c1-3-33-20(31)21(22(23,24)25,27-18(30)12-8-10-13(32-2)11-9-12)28-19-16(17(26)29)14-6-4-5-7-15(14)34-19/h8-11,28H,3-7H2,1-2H3,(H2,26,29)(H,27,30)
InChIKey	NDDAWUSTLCTUEL-UHFFFAOYSA-N Google Search
Mol Weight	499.51 g/mol
Molecular Formula	C22H24F3N3O5S
Exact Mass	499.138877 g/mol

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SpectraBase Spectrum ID	Kro2wMfiXa2
Name	Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H24F3N3O5S
InChI	InChI=1S/C22H24F3N3O5S/c1-3-33-20(31)21(22(23,24)25,27-18(30)12-8-10-13(32-2)11-9-12)28-19-16(17(26)29)14-6-4-5-7-15(14)34-19/h8-11,28H,3-7H2,1-2H3,(H2,26,29)(H,27,30)
InChIKey	NDDAWUSTLCTUEL-UHFFFAOYSA-N
Molecular Weight	499.505 g/mol
SMILES	NC(c1c2CCCCc2sc1NC(NC(=O)c1ccc(cc1)OC)(C(OCC)=O)C(F)(F)F)=O
SPLASH	splash10-000i-4910000000-84f07db4e267022a2f10
Source of Spectrum	IY-2-5037-0
Synonyms	Propanoic acid, 2-[[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-, ethyl ester 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[[(4-methoxyphenyl)-oxomethyl]amino]propanoic acid ethyl ester Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate Ethyl 2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]propanoate
Wiley ID	1658353