3-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-methyl-2-quinolyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-methyl-2-quinolinyl)thio]methyl]benzoate IUPAC Name: 3-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-methyl-2-quinolyl)thio]methyl]benzoate Formula: C18H14NO2S- MolecularWeight: 308.37426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H15NO2S/c1-12-9-17(19-16-8-3-2-7-15(12)16)22-11-13-5-4-6-14(10-13)18(20)21/h2-10H,11H2,1H3,(H,20,21)/p-1