diethyl 1-[(4-chlorophenyl)methyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1-[(4-chlorophenyl)methyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1-[(4-chlorophenyl)methyl]-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[(4-chlorophenyl)methyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(4-chlorobenzyl)-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H22ClNO4S MolecularWeight: 431.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OCC)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OCC)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNO4S/c1-3-27-21(25)17-13-24(12-15-7-9-16(23)10-8-15)14-18(22(26)28-4-2)20(17)19-6-5-11-29-19/h5-11,13-14,20H,3-4,12H2,1-2H3