methyl 3-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C16H13F3N2O3S MolecularWeight: 370.34623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O3S/c1-24-15(23)10-3-2-4-12(7-10)21-13(22)9-25-14-6-5-11(8-20-14)16(17,18)19/h2-8H,9H2,1H3,(H,21,22)