2-(2-thiophen-2-ylethylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(2-thiophen-2-ylethylamino)quinoline-4-carboxylic acid Openeye Name: 2-[2-(2-thienyl)ethylamino]quinoline-4-carboxylic acid CAS Name: 2-(2-thiophen-2-ylethylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(2-thiophen-2-ylethylamino)quinoline-4-carboxylic acid Traditional Name: 2-[2-(2-thienyl)ethylamino]cinchoninic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NCCC3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NCCC3=CC=CS3)C(=O)O

InChI

InChI=1S/C16H14N2O2S/c19-16(20)13-10-15(17-8-7-11-4-3-9-21-11)18-14-6-2-1-5-12(13)14/h1-6,9-10H,7-8H2,(H,17,18)(H,19,20)