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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-tert-butylphenyl)methyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(4-tert-butylphenyl)methyl-(1,1-dioxothiolan-3-yl)amino]-3H-isobenzofuran-1-one CAS Name: 3-[(4-tert-butylphenyl)methyl-(1,1-dioxo-3-thiolanyl)amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(4-tert-butylphenyl)methyl-(1,1-dioxothiolan-3-yl)amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(4-tert-butylbenzyl)-(1,1-diketothiolan-3-yl)amino]phthalide Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4S/c1-23(2,3)17-10-8-16(9-11-17)14-24(18-12-13-29(26,27)15-18)21-19-6-4-5-7-20(19)22(25)28-21/h4-11,18,21H,12-15H2,1-3H3