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

Systemtic Name: 2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-5-(4-phenylphenyl)sulfanyl-cyclopentanecarboxylic acid CAS Name: 2-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-5-[(4-phenylphenyl)thio]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-5-(4-phenylphenyl)sulfanylcyclopentane-1-carboxylic acid Traditional Name: 2-[(2,4-diketo-1H-quinazolin-3-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=CC=CC=C3NC2=O)C(=O)O)SC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(C(C1CN2C(=O)C3=CC=CC=C3NC2=O)C(=O)O)SC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O4S/c30-25-21-8-4-5-9-22(21)28-27(33)29(25)16-19-12-15-23(24(19)26(31)32)34-20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-11,13-14,19,23-24H,12,15-16H2,(H,28,33)(H,31,32)