methyl 4-[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[5-(trifluoromethyl)-2-pyridyl]thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C18H17F3N2O3S MolecularWeight: 398.39939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O3S/c1-11(27-15-8-7-14(10-22-15)18(19,20)21)16(24)23-9-12-3-5-13(6-4-12)17(25)26-2/h3-8,10-11H,9H2,1-2H3,(H,23,24)