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

Systemtic Name: 6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid Openeye Name: 6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid CAS Name: 6-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyridine-2,3,5-tricarboxylic acid IUPAC Name: 6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid Traditional Name: 6-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyridine-2,3,5-tricarboxylic acid Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S/c1-7-10(14(18)19)11(8-3-5-9(24-2)6-4-8)12(15(20)21)13(17-7)16(22)23/h3-6,11,17H,1-2H3,(H,18,19)(H,20,21)(H,22,23)