2-[(3-oxidanylidene-1H-isoindol-2-yl)methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[(3-oxidanylidene-1H-isoindol-2-yl)methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[(1-oxoisoindolin-2-yl)methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentanecarboxylic acid CAS Name: 2-[(3-oxo-1H-isoindol-2-yl)methyl]-5-[(4-phenylphenyl)thio]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(3-oxo-1H-isoindol-2-yl)methyl]-5-(4-phenylphenyl)sulfanylcyclopentane-1-carboxylic acid Traditional Name: 2-[(1-ketoisoindolin-2-yl)methyl]-5-[(4-phenylphenyl)thio]cyclopentanecarboxylic acid Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2CC3=CC=CC=C3C2=O)C(=O)O)SC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(C(C1CN2CC3=CC=CC=C3C2=O)C(=O)O)SC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25NO3S/c29-26-23-9-5-4-8-20(23)16-28(26)17-21-12-15-24(25(21)27(30)31)32-22-13-10-19(11-14-22)18-6-2-1-3-7-18/h1-11,13-14,21,24-25H,12,15-17H2,(H,30,31)