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

Systemtic Name: methyl 4-[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H15F3N2O3S MolecularWeight: 384.37281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H15F3N2O3S/c1-25-16(24)12-4-2-11(3-5-12)8-21-14(23)10-26-15-7-6-13(9-22-15)17(18,19)20/h2-7,9H,8,10H2,1H3,(H,21,23)