2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(4,6,8-trimethyl-2-quinolyl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(4,6,8-trimethyl-2-quinolinyl)thio]methyl]benzoic acid IUPAC Name: 2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(4,6,8-trimethyl-2-quinolyl)thio]methyl]benzoic acid Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=CC=CC=C3C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=CC=CC=C3C(=O)O)C)C

InChI

InChI=1S/C20H19NO2S/c1-12-8-14(3)19-17(9-12)13(2)10-18(21-19)24-11-15-6-4-5-7-16(15)20(22)23/h4-10H,11H2,1-3H3,(H,22,23)