2-azanyl-6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-azanyl-6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-amino-6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-amino-6-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-amino-6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-amino-6-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-7-10(14(18)19)11(12(15(20)21)13(16)17-7)8-3-5-9(22-2)6-4-8/h3-6,11,17H,16H2,1-2H3,(H,18,19)(H,20,21)