2-(2,5-dimethylthiophen-3-yl)-7,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2,5-dimethylthiophen-3-yl)-7,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethyl-3-thienyl)-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethyl-3-thiophenyl)-7,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethylthiophen-3-yl)-7,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethyl-3-thienyl)-7,8-dimethyl-cinchoninic acid Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=C(SC(=C3)C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=C(SC(=C3)C)C)C(=O)O)C

InChI

InChI=1S/C18H17NO2S/c1-9-5-6-13-15(18(20)21)8-16(19-17(13)11(9)3)14-7-10(2)22-12(14)4/h5-8H,1-4H3,(H,20,21)