2-[[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-oxo-1-[(4-phenoxyphenyl)methyl]-2-pyrrolidinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-keto-1-(4-phenoxybenzyl)pyrrolidin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1SCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1SCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O4S/c29-23-14-15-24(33-17-28-25(30)21-8-4-5-9-22(21)26(28)31)27(23)16-18-10-12-20(13-11-18)32-19-6-2-1-3-7-19/h1-13,24H,14-17H2