methyl 4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C16H12ClF3N2O3S MolecularWeight: 404.79129

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C16H12ClF3N2O3S/c1-25-15(24)9-2-4-11(5-3-9)22-13(23)8-26-14-12(17)6-10(7-21-14)16(18,19)20/h2-7H,8H2,1H3,(H,22,23)