6,8-bis(chloranyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid

Systemtic Name: 6,8-bis(chloranyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid Openeye Name: 6,8-dichloro-2-(2,5-dimethyl-3-thienyl)quinoline-4-carboxylic acid CAS Name: 6,8-dichloro-2-(2,5-dimethyl-3-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6,8-dichloro-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid Traditional Name: 6,8-dichloro-2-(2,5-dimethyl-3-thienyl)cinchoninic acid Formula: C16H11Cl2NO2S MolecularWeight: 352.23504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H11Cl2NO2S/c1-7-3-10(8(2)22-7)14-6-12(16(20)21)11-4-9(17)5-13(18)15(11)19-14/h3-6H,1-2H3,(H,20,21)