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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-propan-2-ylphenyl)methyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(1,1-dioxothiolan-3-yl)-[(4-isopropylphenyl)methyl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[(1,1-dioxo-3-thiolanyl)-[(4-propan-2-ylphenyl)methyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)-[(4-propan-2-ylphenyl)methyl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(1,1-diketothiolan-3-yl)-(4-isopropylbenzyl)amino]phthalide Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-15(2)17-9-7-16(8-10-17)13-23(18-11-12-28(25,26)14-18)21-19-5-3-4-6-20(19)22(24)27-21/h3-10,15,18,21H,11-14H2,1-2H3