2-(4-methylsulfanylphenyl)-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 8-isopropyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 2-[4-(methylthio)phenyl]-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 8-isopropyl-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H19NO2S/c1-12(2)15-5-4-6-16-17(20(22)23)11-18(21-19(15)16)13-7-9-14(24-3)10-8-13/h4-12H,1-3H3,(H,22,23)