2-methyl-3-phenylsulfanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-methyl-3-phenylsulfanyl-quinoline-4-carboxylic acid Openeye Name: 2-methyl-3-phenylsulfanyl-quinoline-4-carboxylic acid CAS Name: 2-methyl-3-(phenylthio)-4-quinolinecarboxylic acid IUPAC Name: 2-methyl-3-phenylsulfanylquinoline-4-carboxylic acid Traditional Name: 2-methyl-3-(phenylthio)cinchoninic acid Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H13NO2S/c1-11-16(21-12-7-3-2-4-8-12)15(17(19)20)13-9-5-6-10-14(13)18-11/h2-10H,1H3,(H,19,20)