2-(phenylmethylsulfanyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(phenylmethylsulfanyl)quinoline-4-carboxylic acid Openeye Name: 2-benzylsulfanylquinoline-4-carboxylic acid CAS Name: 2-(phenylmethylthio)-4-quinolinecarboxylic acid IUPAC Name: 2-benzylsulfanylquinoline-4-carboxylic acid Traditional Name: 2-(benzylthio)cinchoninic acid Formula: C17H13NO2S MolecularWeight: 295.35562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C17H13NO2S/c19-17(20)14-10-16(18-15-9-5-4-8-13(14)15)21-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20)