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

Systemtic Name: methyl 4-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-6-methyl-4-(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=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

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