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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-ethylphenyl)methyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(1,1-dioxothiolan-3-yl)-[(4-ethylphenyl)methyl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[(1,1-dioxo-3-thiolanyl)-[(4-ethylphenyl)methyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)-[(4-ethylphenyl)methyl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(1,1-diketothiolan-3-yl)-(4-ethylbenzyl)amino]phthalide Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H23NO4S/c1-2-15-7-9-16(10-8-15)13-22(17-11-12-27(24,25)14-17)20-18-5-3-4-6-19(18)21(23)26-20/h3-10,17,20H,2,11-14H2,1H3