dimethyl 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(2-thienylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(2-thenyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H18F3NO4S MolecularWeight: 437.43213

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OC)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OC)CC3=CC=CS3

InChI

InChI=1S/C21H18F3NO4S/c1-28-19(26)16-11-25(10-15-4-3-9-30-15)12-17(20(27)29-2)18(16)13-5-7-14(8-6-13)21(22,23)24/h3-9,11-12,18H,10H2,1-2H3