Propanoic acid, 2-(3-chlorobenzoylamino)-2-(5,6-dihydro-3-cyano-4H-cyclopenta[b]thien-2-ylamino)-3,3,3-trifluoro-, ethyl ester

SpectraBase Compound ID	KaPZ3GYd10M
InChI	InChI=1S/C20H17ClF3N3O3S/c1-2-30-18(29)19(20(22,23)24,26-16(28)11-5-3-6-12(21)9-11)27-17-14(10-25)13-7-4-8-15(13)31-17/h3,5-6,9,27H,2,4,7-8H2,1H3,(H,26,28)
InChIKey	OXCBLJUPFDHXSO-UHFFFAOYSA-N Google Search
Mol Weight	471.88 g/mol
Molecular Formula	C20H17ClF3N3O3S
Exact Mass	471.063125 g/mol

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SpectraBase Spectrum ID	3v0vp2Q3r5G
Name	Propanoic acid, 2-(3-chlorobenzoylamino)-2-(5,6-dihydro-3-cyano-4H-cyclopenta[b]thien-2-ylamino)-3,3,3-trifluoro-, ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H17ClF3N3O3S
InChI	InChI=1S/C20H17ClF3N3O3S/c1-2-30-18(29)19(20(22,23)24,26-16(28)11-5-3-6-12(21)9-11)27-17-14(10-25)13-7-4-8-15(13)31-17/h3,5-6,9,27H,2,4,7-8H2,1H3,(H,26,28)
InChIKey	OXCBLJUPFDHXSO-UHFFFAOYSA-N
Molecular Weight	471.882 g/mol
SMILES	N(c1c(c2CCCc2s1)C#N)C(NC(c1cc(Cl)ccc1)=O)(C(F)(F)F)C(=O)OCC
SPLASH	splash10-03du-3901000000-917cab0fad84021c565c
Source of Spectrum	AD-0-2532-0
Synonyms	2-[(3-chlorobenzoyl)amino]-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-propionic acid ethyl ester 2-[[(3-chlorophenyl)-oxomethyl]amino]-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3,3-trifluoropropanoic acid ethyl ester Ethyl 2-[(3-chlorobenzoyl)amino]-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]-3,3,3-trifluoropropanoate Ethyl 2-[(3-chlorobenzoyl)amino]-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-propanoate Ethyl 2-[(3-chlorophenyl)carbonylamino]-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate
Wiley ID	1419303