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

Systemtic Name: 8-chloranyl-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid Openeye Name: 8-chloro-2-(2,5-dimethyl-3-thienyl)quinoline-4-carboxylic acid CAS Name: 8-chloro-2-(2,5-dimethyl-3-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-chloro-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid Traditional Name: 8-chloro-2-(2,5-dimethyl-3-thienyl)cinchoninic acid Formula: C16H12ClNO2S MolecularWeight: 317.78998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

InChI

InChI=1S/C16H12ClNO2S/c1-8-6-11(9(2)21-8)14-7-12(16(19)20)10-4-3-5-13(17)15(10)18-14/h3-7H,1-2H3,(H,19,20)