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

Systemtic Name: 2-(thiophen-2-ylmethylamino)quinoline-4-carboxylic acid Openeye Name: 2-(2-thienylmethylamino)quinoline-4-carboxylic acid CAS Name: 2-(thiophen-2-ylmethylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(thiophen-2-ylmethylamino)quinoline-4-carboxylic acid Traditional Name: 2-(2-thenylamino)cinchoninic acid Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NCC3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NCC3=CC=CS3)C(=O)O

InChI

InChI=1S/C15H12N2O2S/c18-15(19)12-8-14(16-9-10-4-3-7-20-10)17-13-6-2-1-5-11(12)13/h1-8H,9H2,(H,16,17)(H,18,19)