2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxylic acid Openeye Name: 2-(3-methylsulfanylanilino)quinoline-4-carboxylic acid CAS Name: 2-[3-(methylthio)anilino]-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methylsulfanylanilino)quinoline-4-carboxylic acid Traditional Name: 2-[3-(methylthio)anilino]cinchoninic acid Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C17H14N2O2S/c1-22-12-6-4-5-11(9-12)18-16-10-14(17(20)21)13-7-2-3-8-15(13)19-16/h2-10H,1H3,(H,18,19)(H,20,21)