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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-propoxyphenyl)methyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(1,1-dioxothiolan-3-yl)-[(4-propoxyphenyl)methyl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[(1,1-dioxo-3-thiolanyl)-[(4-propoxyphenyl)methyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)-[(4-propoxyphenyl)methyl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(1,1-diketothiolan-3-yl)-(4-propoxybenzyl)amino]phthalide Formula: C22H25NO5S MolecularWeight: 415.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H25NO5S/c1-2-12-27-18-9-7-16(8-10-18)14-23(17-11-13-29(25,26)15-17)21-19-5-3-4-6-20(19)22(24)28-21/h3-10,17,21H,2,11-15H2,1H3