methyl 2-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H18F3N3O5S MolecularWeight: 469.43423

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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=C2C(=O)OC)OC)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C20H18F3N3O5S/c1-10-5-13(20(21,22)23)12(8-24)18(25-10)32-9-17(27)26-14-7-16(30-3)15(29-2)6-11(14)19(28)31-4/h5-7H,9H2,1-4H3,(H,26,27)