2-(2-hydroxyethylsulfanyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(2-hydroxyethylsulfanyl)quinoline-4-carboxylic acid Openeye Name: 2-(2-hydroxyethylsulfanyl)quinoline-4-carboxylic acid CAS Name: 2-(2-hydroxyethylthio)-4-quinolinecarboxylic acid IUPAC Name: 2-(2-hydroxyethylsulfanyl)quinoline-4-carboxylic acid Traditional Name: 2-(2-hydroxyethylthio)cinchoninic acid Formula: C12H11NO3S MolecularWeight: 249.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SCCO)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SCCO)C(=O)O

InChI

InChI=1S/C12H11NO3S/c14-5-6-17-11-7-9(12(15)16)8-3-1-2-4-10(8)13-11/h1-4,7,14H,5-6H2,(H,15,16)