5,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 5,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 5,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 5,8-dimethyl-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 5,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 5,8-dimethyl-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=NC2=C(C=C1)C)C3=CC=C(C=C3)SC)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=NC2=C(C=C1)C)C3=CC=C(C=C3)SC)C(=O)O

InChI

InChI=1S/C19H17NO2S/c1-11-4-5-12(2)18-17(11)15(19(21)22)10-16(20-18)13-6-8-14(23-3)9-7-13/h4-10H,1-3H3,(H,21,22)