6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-(3,4-dimethoxyphenyl)-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarboxylate IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-(3,4-dimethoxyphenyl)-2-(methylthio)-4-(trifluoromethyl)nicotinate Formula: C16H13F3NO4S- MolecularWeight: 372.33893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C(=O)[O-])SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C(=O)[O-])SC)OC

InChI

InChI=1S/C16H14F3NO4S/c1-23-11-5-4-8(6-12(11)24-2)10-7-9(16(17,18)19)13(15(21)22)14(20-10)25-3/h4-7H,1-3H3,(H,21,22)/p-1