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

Systemtic Name: 8-bromanyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 8-bromo-2-(5-ethyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: 8-bromo-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-bromo-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 8-bromo-2-(5-ethyl-2-thienyl)cinchoninic acid Formula: C16H12BrNO2S MolecularWeight: 362.24098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=CC=C3Br)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=CC=C3Br)C(=C2)C(=O)O

InChI

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