methyl 2-[2-[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H14F3N3O3S MolecularWeight: 409.38227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=CC=C2C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=CC=C2C(=O)OC)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O3S/c1-10-7-14(18(19,20)21)24-16(12(10)8-22)28-9-15(25)23-13-6-4-3-5-11(13)17(26)27-2/h3-7H,9H2,1-2H3,(H,23,25)