(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C31H25NO6S MolecularWeight: 539.5983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CS5

InChI

InChI=1S/C31H25NO6S/c1-31(2,3)20-7-11-22(12-8-20)38-23-13-9-21(10-14-23)32-28(34)24-15-6-19(17-25(24)29(32)35)30(36)37-18-26(33)27-5-4-16-39-27/h4-17H,18H2,1-3H3