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alanine, N-benzoyl-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-, methyl ester
SpectraBase Compound ID 1ZpHaoEzUn9
InChI InChI=1S/C19H18F3N3O3S/c1-4-13-11(2)29-16(14(13)10-23)25-18(17(27)28-3,19(20,21)22)24-15(26)12-8-6-5-7-9-12/h5-9,25H,4H2,1-3H3,(H,24,26)
InChIKey DFLZCSBCCIPDCP-UHFFFAOYSA-N
Mol Weight 425.43 g/mol
Molecular Formula C19H18F3N3O3S
Exact Mass 425.102097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeM7M2INfC7
Name Propanoic acid, 2-benzoylamino-2-(3-cyano-4-ethyl-5-methyl-2-thienylamino)-3,3,3-trifluoro-, methyl ester
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Formula C19H18F3N3O3S
InChI InChI=1S/C19H18F3N3O3S/c1-4-13-11(2)29-16(14(13)10-23)25-18(17(27)28-3,19(20,21)22)24-15(26)12-8-6-5-7-9-12/h5-9,25H,4H2,1-3H3,(H,24,26)
InChIKey DFLZCSBCCIPDCP-UHFFFAOYSA-N
Molecular Weight 425.426 g/mol
SMILES N(c1c(c(CC)c(s1)C)C#N)C(NC(=O)c1ccccc1)(C(F)(F)F)C(=O)OC
SPLASH splash10-0a4i-3911000000-d40eea2773ecc9d6e6a0
Source of Spectrum AD-0-2532-0
Synonyms 2-Benzamido-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-propionic acid methyl ester 2-Benzamido-2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-(benzoylamino)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoate Methyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-propanoate Methyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate Methyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate
Wiley ID 1420056