methyl 6-[[2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonyl]amino]hexanoate CAS Name: 6-[[oxo-[2-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinyl]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonyl]amino]hexanoate Traditional Name: 6-[[2-[[3-(trifluoromethyl)phenyl]thio]nicotinoyl]amino]hexanoic acid methyl ester Formula: C20H21F3N2O3S MolecularWeight: 426.45255

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=C(N=CC=C1)SC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=C(N=CC=C1)SC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O3S/c1-28-17(26)10-3-2-4-11-24-18(27)16-9-6-12-25-19(16)29-15-8-5-7-14(13-15)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,27)