methyl (2S)-4-methylsulfanyl-2-[[4-(trifluoromethyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-(trifluoromethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[4-(trifluoromethyl)benzoyl]amino]butyric acid methyl ester Formula: C14H16F3NO3S MolecularWeight: 335.34195

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C14H16F3NO3S/c1-21-13(20)11(7-8-22-2)18-12(19)9-3-5-10(6-4-9)14(15,16)17/h3-6,11H,7-8H2,1-2H3,(H,18,19)/t11-/m0/s1