dimethyl 4-(4-chloranyl-3-fluoranyl-phenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(4-chloranyl-3-fluoranyl-phenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(4-chloro-3-fluoro-phenyl)-1-(2-thienylmethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(4-chloro-3-fluorophenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(4-chloro-3-fluorophenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(4-chloro-3-fluoro-phenyl)-1-(2-thenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C20H17ClFNO4S MolecularWeight: 421.869683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFNO4S/c1-26-19(24)14-10-23(9-13-4-3-7-28-13)11-15(20(25)27-2)18(14)12-5-6-16(21)17(22)8-12/h3-8,10-11,18H,9H2,1-2H3