2-(2-methylpropylsulfanyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(2-methylpropylsulfanyl)quinoline-4-carboxylic acid Openeye Name: 2-isobutylsulfanylquinoline-4-carboxylic acid CAS Name: 2-(2-methylpropylthio)-4-quinolinecarboxylic acid IUPAC Name: 2-(2-methylpropylsulfanyl)quinoline-4-carboxylic acid Traditional Name: 2-(isobutylthio)cinchoninic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CC(C)CSC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C14H15NO2S/c1-9(2)8-18-13-7-11(14(16)17)10-5-3-4-6-12(10)15-13/h3-7,9H,8H2,1-2H3,(H,16,17)