Propanoic acid, 2-acetylamino-2-(4,5,6,7-tetrahydro-3-aminocarbonyl-2-benzothienylamino)-3,3,3-trifluoro-, methyl ester

SpectraBase Compound ID	4AlMjgoclQR
InChI	InChI=1S/C15H18F3N3O4S/c1-7(22)20-14(13(24)25-2,15(16,17)18)21-12-10(11(19)23)8-5-3-4-6-9(8)26-12/h21H,3-6H2,1-2H3,(H2,19,23)(H,20,22)
InChIKey	IXYQEUBKTJRCKI-UHFFFAOYSA-N Google Search
Mol Weight	393.38 g/mol
Molecular Formula	C15H18F3N3O4S
Exact Mass	393.097012 g/mol

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SpectraBase Spectrum ID	F9jigsqUCpn
Name	Propanoic acid, 2-acetylamino-2-(4,5,6,7-tetrahydro-3-aminocarbonyl-2-benzothienylamino)-3,3,3-trifluoro-, methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H18F3N3O4S
InChI	InChI=1S/C15H18F3N3O4S/c1-7(22)20-14(13(24)25-2,15(16,17)18)21-12-10(11(19)23)8-5-3-4-6-9(8)26-12/h21H,3-6H2,1-2H3,(H2,19,23)(H,20,22)
InChIKey	IXYQEUBKTJRCKI-UHFFFAOYSA-N
Molecular Weight	393.381 g/mol
SMILES	N(c1c(C(=O)N)c2CCCCc2s1)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH	splash10-004i-6691000000-48990f526407deb6f459
Source of Spectrum	AD-0-2532-0
Synonyms	2-Acetamido-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoic acid methyl ester 2-Acetamido-2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-propionic acid methyl ester Methyl 2-(acetylamino)-2-([3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino)-3,3,3-trifluoropropanoate Methyl 2-acetamido-2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate Methyl 2-acetamido-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate Methyl 2-acetamido-2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-propanoate
Wiley ID	1419389