2-(phenylmethylsulfanyl)quinoline-3-carboxylic acid

Systemtic Name: 2-(phenylmethylsulfanyl)quinoline-3-carboxylic acid Openeye Name: 2-benzylsulfanylquinoline-3-carboxylic acid CAS Name: 2-(phenylmethylthio)-3-quinolinecarboxylic acid IUPAC Name: 2-benzylsulfanylquinoline-3-carboxylic acid Traditional Name: 2-(benzylthio)quinoline-3-carboxylic 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=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2C(=O)O

InChI

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