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

Systemtic Name: 2-azanyl-6-methyl-4-(4-methyl-2-sulfanyl-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-amino-6-methyl-4-(4-methyl-2-sulfanyl-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-amino-4-(2-mercapto-4-methylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-amino-6-methyl-4-(4-methyl-2-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-amino-4-(2-mercapto-4-methyl-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=C(NC(=C2C(=O)O)N)C)C(=O)O)S

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(=C(NC(=C2C(=O)O)N)C)C(=O)O)S

InChI

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