dimethyl 4-(4-methylsulfanylphenyl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(4-methylsulfanylphenyl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-benzyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-[4-(methylthio)phenyl]-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-benzyl-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)SC)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)SC)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H23NO4S/c1-27-22(25)19-14-24(13-16-7-5-4-6-8-16)15-20(23(26)28-2)21(19)17-9-11-18(29-3)12-10-17/h4-12,14-15,21H,13H2,1-3H3