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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(3-bromophenyl)methyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(3-bromophenyl)methyl-(1,1-dioxothiolan-3-yl)amino]-3H-isobenzofuran-1-one CAS Name: 3-[(3-bromophenyl)methyl-(1,1-dioxo-3-thiolanyl)amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(3-bromophenyl)methyl-(1,1-dioxothiolan-3-yl)amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(3-bromobenzyl)-(1,1-diketothiolan-3-yl)amino]phthalide Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C19H18BrNO4S/c20-14-5-3-4-13(10-14)11-21(15-8-9-26(23,24)12-15)18-16-6-1-2-7-17(16)19(22)25-18/h1-7,10,15,18H,8-9,11-12H2