2-[2-methyl-6-(methylsulfanylmethyl)pyridin-4-yl]-1,4-dihydropyridine-3,4-dicarboxylic acid

Systemtic Name: 2-[2-methyl-6-(methylsulfanylmethyl)pyridin-4-yl]-1,4-dihydropyridine-3,4-dicarboxylic acid Openeye Name: 2-[2-methyl-6-(methylsulfanylmethyl)-4-pyridyl]-1,4-dihydropyridine-3,4-dicarboxylic acid CAS Name: 2-[2-methyl-6-[(methylthio)methyl]-4-pyridinyl]-1,4-dihydropyridine-3,4-dicarboxylic acid IUPAC Name: 2-[2-methyl-6-(methylsulfanylmethyl)pyridin-4-yl]-1,4-dihydropyridine-3,4-dicarboxylic acid Traditional Name: 2-[2-methyl-6-[(methylthio)methyl]-4-pyridyl]-1,4-dihydropyridine-3,4-dicarboxylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)C2=C(C(C=CN2)C(=O)O)C(=O)O)CSC

Isomeric SMILES

CC1=NC(=CC(=C1)C2=C(C(C=CN2)C(=O)O)C(=O)O)CSC

InChI

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