7-bromanyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 7-bromanyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 7-bromo-2-(5-ethyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: 7-bromo-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 7-bromo-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 7-bromo-2-(5-ethyl-2-thienyl)cinchoninic acid Formula: C16H12BrNO2S MolecularWeight: 362.24098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C16H12BrNO2S/c1-2-10-4-6-15(21-10)14-8-12(16(19)20)11-5-3-9(17)7-13(11)18-14/h3-8H,2H2,1H3,(H,19,20)