Ethyl 2-([3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino)-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate

SpectraBase Compound ID	Cy2CWKsOtKF
InChI	InChI=1S/C21H21F4N3O4S/c1-2-32-19(31)20(21(23,24)25,27-17(30)11-6-5-7-12(22)10-11)28-18-15(16(26)29)13-8-3-4-9-14(13)33-18/h5-7,10,28H,2-4,8-9H2,1H3,(H2,26,29)(H,27,30)
InChIKey	MMTCYLHPOYKDDL-UHFFFAOYSA-N Google Search
Mol Weight	487.47 g/mol
Molecular Formula	C21H21F4N3O4S
Exact Mass	487.11889 g/mol

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SpectraBase Spectrum ID	HR5HvBo6oBb
Name	Ethyl 2-([3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino)-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate
CAS Registry Number	309730-86-7
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H21F4N3O4S
InChI	InChI=1S/C21H21F4N3O4S/c1-2-32-19(31)20(21(23,24)25,27-17(30)11-6-5-7-12(22)10-11)28-18-15(16(26)29)13-8-3-4-9-14(13)33-18/h5-7,10,28H,2-4,8-9H2,1H3,(H2,26,29)(H,27,30)
InChIKey	MMTCYLHPOYKDDL-UHFFFAOYSA-N
Molecular Weight	487.470 g/mol
SMILES	N(c1c(C(=O)N)c2CCCCc2s1)C(NC(c1cc(F)ccc1)=O)(C(F)(F)F)C(=O)OCC
SPLASH	splash10-00di-8930000000-3ffab6f1fd383c46b23a
Source of Spectrum	AD-0-2532-0
Synonyms	2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[[(3-fluorophenyl)-oxomethyl]amino]propanoic acid ethyl ester 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propionic acid ethyl ester Ethyl 2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-[(3-fluorophenyl)carbonylamino]propanoate Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate Propanoic acid, 2-(4,5,6,7-tetrahydro-3-aminocarbonyl-2-benzothienylamino)-3,3,3-trifluoro-2-(3-fluorobenzoylamino)-, ethyl ester
Wiley ID	1429801