3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(5-methylfuran-2-yl)methyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(5-methylfuran-2-yl)methyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(1,1-dioxothiolan-3-yl)-[(5-methyl-2-furyl)methyl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[(1,1-dioxo-3-thiolanyl)-[(5-methyl-2-furanyl)methyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)-[(5-methylfuran-2-yl)methyl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(1,1-diketothiolan-3-yl)-[(5-methyl-2-furyl)methyl]amino]phthalide Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC=C(O1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C18H19NO5S/c1-12-6-7-14(23-12)10-19(13-8-9-25(21,22)11-13)17-15-4-2-3-5-16(15)18(20)24-17/h2-7,13,17H,8-11H2,1H3