methyl (2R)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate

Systemtic Name: methyl (2R)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate Openeye Name: methyl (2R)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butyric acid methyl ester Formula: C14H17F3N2O3S MolecularWeight: 350.35659

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

COC(=O)[C@@H](CCSC)NC(=O)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C14H17F3N2O3S/c1-22-12(20)11(6-7-23-2)19-13(21)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8,11H,6-7H2,1-2H3,(H2,18,19,21)/t11-/m1/s1