4-(3-cyanophenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(3-cyanophenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(3-cyanophenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3-cyanophenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(3-cyanophenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C(=O)O)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C(=O)O)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C16H14N2O4S/c1-8-11(15(19)20)12(10-5-3-4-9(6-10)7-17)13(16(21)22)14(18-8)23-2/h3-6,12,18H,1-2H3,(H,19,20)(H,21,22)