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

Systemtic Name: 5-ethylsulfanyl-2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethylsulfanyl-2,6-dimethyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-(ethylthio)-2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethylsulfanyl-2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(ethylthio)-2,6-dimethyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(NC(=C(C1C2=CC=C(C=C2)C)C(=O)O)C)C

Isomeric SMILES

CCSC1=C(NC(=C(C1C2=CC=C(C=C2)C)C(=O)O)C)C

InChI

InChI=1S/C17H21NO2S/c1-5-21-16-12(4)18-11(3)14(17(19)20)15(16)13-8-6-10(2)7-9-13/h6-9,15,18H,5H2,1-4H3,(H,19,20)