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

Systemtic Name: 8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 8-methyl-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 8-methyl-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H15NO2S/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(22-2)9-7-12/h3-10H,1-2H3,(H,20,21)