(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C25H17N3O6S MolecularWeight: 487.48398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C25H17N3O6S/c1-14(29)26-16-5-7-18(8-6-16)28-23(30)19-9-4-15(11-20(19)24(28)31)25(32)33-13-17-12-21(34-27-17)22-3-2-10-35-22/h2-12H,13H2,1H3,(H,26,29)