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

Systemtic Name: 2-methyl-4-(4-methylsulfanylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(4-methylsulfanylphenyl)-6-(1-piperidyl)-3,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-6-(1-piperidinyl)-3,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(4-methylsulfanylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-4-[4-(methylthio)phenyl]-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=NC(=C(C(C1C(=O)O)C2=CC=C(C=C2)SC)C(=O)O)N3CCCCC3

Isomeric SMILES

CC1=NC(=C(C(C1C(=O)O)C2=CC=C(C=C2)SC)C(=O)O)N3CCCCC3

InChI

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