2,6-dimethyl-4-(4-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-(4-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(4-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(4-mercaptophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(4-sulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(4-mercaptophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H15NO4S MolecularWeight: 305.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=C(C=C2)S)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=C(C=C2)S)C(=O)O

InChI

InChI=1S/C15H15NO4S/c1-7-11(14(17)18)13(9-3-5-10(21)6-4-9)12(15(19)20)8(2)16-7/h3-6,13,16,21H,1-2H3,(H,17,18)(H,19,20)