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alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester
SpectraBase Compound ID 6qbQXEm5PKz
InChI InChI=1S/C16H20F3N3O4S/c1-5-10-9(4)27-12(11(10)8-20)21-15(16(17,18)19,13(23)25-6-2)22-14(24)26-7-3/h21H,5-7H2,1-4H3,(H,22,24)
InChIKey QRNKZGOCNUELPG-UHFFFAOYSA-N
Mol Weight 407.41 g/mol
Molecular Formula C16H20F3N3O4S
Exact Mass 407.112662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgRB3oUHmQc
Name Propionic acid, 2-(3-cyano-4-ethyl-5-methyl-thiophen-2-ylamino)-2-ethoxycarbonylamino-3,3,3-trifluoro-, ethyl ester
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Formula C16H20F3N3O4S
InChI InChI=1S/C16H20F3N3O4S/c1-5-10-9(4)27-12(11(10)8-20)21-15(16(17,18)19,13(23)25-6-2)22-14(24)26-7-3/h21H,5-7H2,1-4H3,(H,22,24)
InChIKey QRNKZGOCNUELPG-UHFFFAOYSA-N
Molecular Weight 407.408 g/mol
SMILES N(c1c(c(CC)c(s1)C)C#N)C(NC(=O)OCC)(C(F)(F)F)C(=O)OCC
SPLASH splash10-014i-1900000000-870b388c45da160fcc25
Source of Spectrum AD-0-2532-0
Synonyms 2-(carbethoxyamino)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-propionic acid ethyl ester 2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoic acid ethyl ester Ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
Wiley ID 1419673