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

Systemtic Name: 5-chloranyl-8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 5-chloro-8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 5-chloro-8-methyl-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 5-chloro-8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 5-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(=C(C=C1)Cl)C(=CC(=N2)C3=CC=C(C=C3)SC)C(=O)O

Isomeric SMILES

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

InChI

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