3-[4-(dimethylamino)-2-methylsulfanyl-phenyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[4-(dimethylamino)-2-methylsulfanyl-phenyl]-3H-2-benzofuran-1-one Openeye Name: 3-[4-(dimethylamino)-2-methylsulfanyl-phenyl]-3H-isobenzofuran-1-one CAS Name: 3-[4-(dimethylamino)-2-(methylthio)phenyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[4-(dimethylamino)-2-methylsulfanylphenyl]-3H-2-benzofuran-1-one Traditional Name: 3-[4-(dimethylamino)-2-(methylthio)phenyl]phthalide Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)C2C3=CC=CC=C3C(=O)O2)SC

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)C2C3=CC=CC=C3C(=O)O2)SC

InChI

InChI=1S/C17H17NO2S/c1-18(2)11-8-9-14(15(10-11)21-3)16-12-6-4-5-7-13(12)17(19)20-16/h4-10,16H,1-3H3