propan-2-yl 4-methylsulfanyl-2-[[6-(trifluoromethyl)pyridin-3-yl]carbonylamino]butanoate

Systemtic Name: propan-2-yl 4-methylsulfanyl-2-[[6-(trifluoromethyl)pyridin-3-yl]carbonylamino]butanoate Openeye Name: isopropyl 4-methylsulfanyl-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methylsulfanyl-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[6-(trifluoromethyl)nicotinoyl]amino]butyric acid isopropyl ester Formula: C15H19F3N2O3S MolecularWeight: 364.38317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)C1=CN=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=O)C1=CN=C(C=C1)C(F)(F)F

InChI

InChI=1S/C15H19F3N2O3S/c1-9(2)23-14(22)11(6-7-24-3)20-13(21)10-4-5-12(19-8-10)15(16,17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H,20,21)