6-bromanyl-3-ethyl-2-thiophen-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-3-ethyl-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-ethyl-2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-3-ethyl-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: 6-bromo-3-ethyl-2-(2-thienyl)cinchoninic acid Formula: C16H12BrNO2S MolecularWeight: 362.24098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=CC(=CC2=C1C(=O)O)Br)C3=CC=CS3

Isomeric SMILES

CCC1=C(N=C2C=CC(=CC2=C1C(=O)O)Br)C3=CC=CS3

InChI

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