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

Systemtic Name: 6-chloranyl-8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-chloro-8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 6-chloro-8-methyl-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-chloro-8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-chloro-8-methyl-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C18H14ClNO2S MolecularWeight: 343.82726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C(=CC(=N2)C3=CC=C(C=C3)SC)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C(=CC(=N2)C3=CC=C(C=C3)SC)C(=O)O

InChI

InChI=1S/C18H14ClNO2S/c1-10-7-12(19)8-14-15(18(21)22)9-16(20-17(10)14)11-3-5-13(23-2)6-4-11/h3-9H,1-2H3,(H,21,22)