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Propionic acid, 2-benzoylamino-2-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylamino)-3,3,3-trifluoro-, methyl ester
SpectraBase Compound ID KCieYuhLNkk
InChI InChI=1S/C19H16F3N3O3S/c1-28-17(27)18(19(20,21)22,24-15(26)11-6-3-2-4-7-11)25-16-13(10-23)12-8-5-9-14(12)29-16/h2-4,6-7,25H,5,8-9H2,1H3,(H,24,26)
InChIKey AXARBYROGSCRCP-UHFFFAOYSA-N
Mol Weight 423.41 g/mol
Molecular Formula C19H16F3N3O3S
Exact Mass 423.086447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3x5JWXyE10C
Name Propionic acid, 2-benzoylamino-2-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylamino)-3,3,3-trifluoro-, methyl ester
Alternate Name(s) 2-Benzamido-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-propionic acid methyl ester 2-Benzamido-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-(benzoylamino)-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]-3,3,3-trifluoropropanoate Methyl 2-benzamido-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-propanoate Methyl 2-benzamido-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate
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Formula C19H16F3N3O3S
InChI InChI=1S/C19H16F3N3O3S/c1-28-17(27)18(19(20,21)22,24-15(26)11-6-3-2-4-7-11)25-16-13(10-23)12-8-5-9-14(12)29-16/h2-4,6-7,25H,5,8-9H2,1H3,(H,24,26)
InChIKey AXARBYROGSCRCP-UHFFFAOYSA-N
Molecular Weight 423.410 g/mol
SMILES N(c1c(c2CCCc2s1)C#N)C(NC(=O)c1ccccc1)(C(F)(F)F)C(=O)OC
SPLASH splash10-0a4i-4900000000-021ab607751176b25427
Source of Spectrum AD-0-2532-0
Wiley ID 1419821