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

Systemtic Name: 2,6-dimethyl-4-(2-methylsulfinylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(2-methylsulfinylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(2-methylsulfinylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-methylsulfinylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(2-methylsulfinylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H17NO5S MolecularWeight: 335.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2S(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2S(=O)C)C(=O)O

InChI

InChI=1S/C16H17NO5S/c1-8-12(15(18)19)14(13(16(20)21)9(2)17-8)10-6-4-5-7-11(10)23(3)22/h4-7,14,17H,1-3H3,(H,18,19)(H,20,21)