2,6-dimethyl-4-thiophen-3-yl-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-thiophen-3-yl-pyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(3-thiophenyl)pyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-thiophen-3-ylpyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(3-thienyl)dinicotinic acid Formula: C13H11NO4S MolecularWeight: 277.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CSC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CSC=C2)C(=O)O

InChI

InChI=1S/C13H11NO4S/c1-6-9(12(15)16)11(8-3-4-19-5-8)10(13(17)18)7(2)14-6/h3-5H,1-2H3,(H,15,16)(H,17,18)