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

Systemtic Name: 2-methyl-4-(4-methyl-2-sulfanyl-phenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(4-methyl-2-sulfanyl-phenyl)-6-(1-piperidyl)-3,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-mercapto-4-methylphenyl)-2-methyl-6-(1-piperidinyl)-3,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(4-methyl-2-sulfanylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-mercapto-4-methyl-phenyl)-2-methyl-6-piperidino-3,4-dihydropyridine-3,5-dicarboxylic acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(C(=NC(=C2C(=O)O)N3CCCCC3)C)C(=O)O)S

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(C(=NC(=C2C(=O)O)N3CCCCC3)C)C(=O)O)S

InChI

InChI=1S/C20H24N2O4S/c1-11-6-7-13(14(27)10-11)16-15(19(23)24)12(2)21-18(17(16)20(25)26)22-8-4-3-5-9-22/h6-7,10,15-16,27H,3-5,8-9H2,1-2H3,(H,23,24)(H,25,26)