alanine, N-acetyl-2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl ester

SpectraBase Compound ID	LMIv7zEXAhc
InChI	InChI=1S/C15H16F3N3O3S/c1-8(22)20-14(13(23)24-2,15(16,17)18)21-12-10(7-19)9-5-3-4-6-11(9)25-12/h21H,3-6H2,1-2H3,(H,20,22)
InChIKey	DSMCVJNGBHTKCU-UHFFFAOYSA-N Google Search
Mol Weight	375.37 g/mol
Molecular Formula	C15H16F3N3O3S
Exact Mass	375.086447 g/mol

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SpectraBase Spectrum ID	J46xtcdI5Np
Name	Propionic acid, 2-acetylamino-2-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylamino)-3,3,3-trifluoro-, methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H16F3N3O3S
InChI	InChI=1S/C15H16F3N3O3S/c1-8(22)20-14(13(23)24-2,15(16,17)18)21-12-10(7-19)9-5-3-4-6-11(9)25-12/h21H,3-6H2,1-2H3,(H,20,22)
InChIKey	DSMCVJNGBHTKCU-UHFFFAOYSA-N
Molecular Weight	375.366 g/mol
SMILES	N(c1c(c2CCCCc2s1)C#N)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH	splash10-004i-4923000000-cb2bc797ee1ecad0acb6
Source of Spectrum	AD-0-2532-0
Synonyms	2-Acetamido-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoic acid methyl ester 2-Acetamido-2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-propionic acid methyl ester Methyl 2-(acetylamino)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoropropanoate Methyl 2-acetamido-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate Methyl 2-acetamido-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate Methyl 2-acetamido-2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-propanoate
Wiley ID	1426189