methyl 2-[(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)methylsulfanyl]benzoate

Systemtic Name: methyl 2-[(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)methylsulfanyl]benzoate Openeye Name: methyl 2-[(1-hydroxy-3-oxo-isoindolin-2-yl)methylsulfanyl]benzoate CAS Name: 2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)methylsulfanyl]benzoate Traditional Name: 2-[(1-hydroxy-3-keto-isoindolin-2-yl)methylthio]benzoic acid methyl ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCN2C(C3=CC=CC=C3C2=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCN2C(C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C17H15NO4S/c1-22-17(21)13-8-4-5-9-14(13)23-10-18-15(19)11-6-2-3-7-12(11)16(18)20/h2-9,15,19H,10H2,1H3