8-chloranyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 8-chloranyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 8-chloro-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 8-chloro-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 8-chloro-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 8-chloro-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C17H12ClNO2S MolecularWeight: 329.80068

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

InChI

InChI=1S/C17H12ClNO2S/c1-22-11-7-5-10(6-8-11)15-9-13(17(20)21)12-3-2-4-14(18)16(12)19-15/h2-9H,1H3,(H,20,21)