1,2,6-triethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 1,2,6-triethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 1,2,6-triethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 1,2,6-triethyl-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 1,2,6-triethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 1,2,6-triethyl-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1CC)CC)C(=O)O)C2=CC=C(C=C2)SC)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1CC)CC)C(=O)O)C2=CC=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C20H25NO4S/c1-5-14-17(19(22)23)16(12-8-10-13(26-4)11-9-12)18(20(24)25)15(6-2)21(14)7-3/h8-11,16H,5-7H2,1-4H3,(H,22,23)(H,24,25)