3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-dimethylaminophenyl)methyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-dimethylaminophenyl)methyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(4-dimethylaminophenyl)methyl-(1,1-dioxothiolan-3-yl)amino]-3H-isobenzofuran-1-one CAS Name: 3-[(4-dimethylaminophenyl)methyl-(1,1-dioxo-3-thiolanyl)amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(4-dimethylaminophenyl)methyl-(1,1-dioxothiolan-3-yl)amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(1,1-diketothiolan-3-yl)-[4-(dimethylamino)benzyl]amino]phthalide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H24N2O4S/c1-22(2)16-9-7-15(8-10-16)13-23(17-11-12-28(25,26)14-17)20-18-5-3-4-6-19(18)21(24)27-20/h3-10,17,20H,11-14H2,1-2H3