5,7-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 5,7-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 5,7-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 5,7-dimethyl-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 5,7-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 5,7-dimethyl-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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