methyl 2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]benzoate

Systemtic Name: methyl 2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]benzoate Openeye Name: methyl 2-[(8-hydroxy-5-quinolyl)methylsulfanyl]benzoate CAS Name: 2-[(8-hydroxy-5-quinolinyl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[(8-hydroxyquinolin-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(8-hydroxy-5-quinolyl)methylthio]benzoic acid methyl ester Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC2=C3C=CC=NC3=C(C=C2)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C18H15NO3S/c1-22-18(21)14-5-2-3-7-16(14)23-11-12-8-9-15(20)17-13(12)6-4-10-19-17/h2-10,20H,11H2,1H3