(1-oxidanylidene-1-phenyl-butan-2-yl) 1,3-bis(oxidanylidene)-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 1,3-bis(oxidanylidene)-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxylate Openeye Name: 1-benzoylpropyl 1,3-dioxo-2-(4-phenylthiazol-2-yl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(4-phenyl-2-thiazolyl)-5-isoindolecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 1,3-dioxo-2-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-phenylthiazol-2-yl)isoindoline-5-carboxylic acid 1-benzoylpropyl ester Formula: C28H20N2O5S MolecularWeight: 496.5338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C28H20N2O5S/c1-2-23(24(31)18-11-7-4-8-12-18)35-27(34)19-13-14-20-21(15-19)26(33)30(25(20)32)28-29-22(16-36-28)17-9-5-3-6-10-17/h3-16,23H,2H2,1H3