2-butylsulfanylquinoline-4-carboxylic acid

Systemtic Name: 2-butylsulfanylquinoline-4-carboxylic acid Openeye Name: 2-butylsulfanylquinoline-4-carboxylic acid CAS Name: 2-(butylthio)-4-quinolinecarboxylic acid IUPAC Name: 2-butylsulfanylquinoline-4-carboxylic acid Traditional Name: 2-(butylthio)cinchoninic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CCCCSC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C14H15NO2S/c1-2-3-8-18-13-9-11(14(16)17)10-6-4-5-7-12(10)15-13/h4-7,9H,2-3,8H2,1H3,(H,16,17)