methyl 5-cyano-2-(dimethoxymethyl)-6-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-(dimethoxymethyl)-6-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-(dimethoxymethyl)-6-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-(dimethoxymethyl)-6-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-(dimethoxymethyl)-6-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-(dimethoxymethyl)-6-[[2-nitro-4-(trifluoromethyl)phenyl]thio]nicotinic acid methyl ester Formula: C18H14F3N3O6S MolecularWeight: 457.38047

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=C(C(=N1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N)C(=O)OC)OC

Isomeric SMILES

COC(C1=C(C=C(C(=N1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N)C(=O)OC)OC

InChI

InChI=1S/C18H14F3N3O6S/c1-28-16(25)11-6-9(8-22)15(23-14(11)17(29-2)30-3)31-13-5-4-10(18(19,20)21)7-12(13)24(26)27/h4-7,17H,1-3H3