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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(3-methoxyphenyl)methyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(1,1-dioxothiolan-3-yl)-[(3-methoxyphenyl)methyl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[(1,1-dioxo-3-thiolanyl)-[(3-methoxyphenyl)methyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)-[(3-methoxyphenyl)methyl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(1,1-diketothiolan-3-yl)-m-anisyl-amino]phthalide Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC1=CC=CC(=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H21NO5S/c1-25-16-6-4-5-14(11-16)12-21(15-9-10-27(23,24)13-15)19-17-7-2-3-8-18(17)20(22)26-19/h2-8,11,15,19H,9-10,12-13H2,1H3