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

Systemtic Name: 2-[[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[(5-amino-1,3-dioxo-isoindolin-2-yl)methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentanecarboxylic acid CAS Name: 2-[(5-amino-1,3-dioxo-2-isoindolyl)methyl]-5-[(4-phenylphenyl)thio]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(5-amino-1,3-dioxoisoindol-2-yl)methyl]-5-(4-phenylphenyl)sulfanylcyclopentane-1-carboxylic acid Traditional Name: 2-[(5-amino-1,3-diketo-isoindolin-2-yl)methyl]-5-[(4-phenylphenyl)thio]cyclopentanecarboxylic acid Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2C(=O)C3=C(C2=O)C=C(C=C3)N)C(=O)O)SC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(C(C1CN2C(=O)C3=C(C2=O)C=C(C=C3)N)C(=O)O)SC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O4S/c28-19-9-12-21-22(14-19)26(31)29(25(21)30)15-18-8-13-23(24(18)27(32)33)34-20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-7,9-12,14,18,23-24H,8,13,15,28H2,(H,32,33)