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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-methylphenyl)methyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(1,1-dioxothiolan-3-yl)-(p-tolylmethyl)amino]-3H-isobenzofuran-1-one CAS Name: 3-[(1,1-dioxo-3-thiolanyl)-[(4-methylphenyl)methyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)-[(4-methylphenyl)methyl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(1,1-diketothiolan-3-yl)-(4-methylbenzyl)amino]phthalide Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H21NO4S/c1-14-6-8-15(9-7-14)12-21(16-10-11-26(23,24)13-16)19-17-4-2-3-5-18(17)20(22)25-19/h2-9,16,19H,10-13H2,1H3