2,6-dimethyl-4-(4-methylphenyl)-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(4-methylphenyl)-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-isopropylsulfanyl-2,6-dimethyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(4-methylphenyl)-5-(propan-2-ylthio)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(4-methylphenyl)-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(isopropylthio)-2,6-dimethyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C18H23NO2S MolecularWeight: 317.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=C2SC(C)C)C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC(=C2SC(C)C)C)C)C(=O)O

InChI

InChI=1S/C18H23NO2S/c1-10(2)22-17-13(5)19-12(4)15(18(20)21)16(17)14-8-6-11(3)7-9-14/h6-10,16,19H,1-5H3,(H,20,21)