2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(4,8-dimethyl-2-quinolinyl)thio]methyl]benzoic acid IUPAC Name: 2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(4,8-dimethyl-2-quinolyl)thio]methyl]benzoic acid Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H17NO2S/c1-12-6-5-9-15-13(2)10-17(20-18(12)15)23-11-14-7-3-4-8-16(14)19(21)22/h3-10H,11H2,1-2H3,(H,21,22)