2-(2-methylsulfanylphenyl)sulfanylquinoline-4-carboxylic acid

Systemtic Name: 2-(2-methylsulfanylphenyl)sulfanylquinoline-4-carboxylic acid Openeye Name: 2-(2-methylsulfanylphenyl)sulfanylquinoline-4-carboxylic acid CAS Name: 2-[[2-(methylthio)phenyl]thio]-4-quinolinecarboxylic acid IUPAC Name: 2-(2-methylsulfanylphenyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 2-[[2-(methylthio)phenyl]thio]cinchoninic acid Formula: C17H13NO2S2 MolecularWeight: 327.42062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C17H13NO2S2/c1-21-14-8-4-5-9-15(14)22-16-10-12(17(19)20)11-6-2-3-7-13(11)18-16/h2-10H,1H3,(H,19,20)