bis[(4-methylsulfanylphenyl)methyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[(4-methylsulfanylphenyl)methyl] pyridine-2,6-dicarboxylate Openeye Name: bis[(4-methylsulfanylphenyl)methyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[[4-(methylthio)phenyl]methyl] ester IUPAC Name: bis[(4-methylsulfanylphenyl)methyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis[4-(methylthio)benzyl] ester Formula: C23H21NO4S2 MolecularWeight: 439.54714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=NC(=CC=C2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=NC(=CC=C2)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H21NO4S2/c1-29-18-10-6-16(7-11-18)14-27-22(25)20-4-3-5-21(24-20)23(26)28-15-17-8-12-19(30-2)13-9-17/h3-13H,14-15H2,1-2H3