2-azanyl-3,6-dimethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2-azanyl-3,6-dimethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 2-amino-3,6-dimethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 2-amino-3,6-dimethyl-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 2-amino-3,6-dimethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 2-amino-3,6-dimethyl-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=N1)N)(C)C(=O)O)C2=CC=C(C=C2)SC)C(=O)O

Isomeric SMILES

CC1=C(C(C(C(=N1)N)(C)C(=O)O)C2=CC=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c1-8-11(13(19)20)12(9-4-6-10(23-3)7-5-9)16(2,15(21)22)14(17)18-8/h4-7,12H,1-3H3,(H2,17,18)(H,19,20)(H,21,22)