1,3-benzothiazol-2-ylmethyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H17N3O5S MolecularWeight: 471.48458

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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=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H17N3O5S/c1-14(29)26-16-7-9-17(10-8-16)28-23(30)18-11-6-15(12-19(18)24(28)31)25(32)33-13-22-27-20-4-2-3-5-21(20)34-22/h2-12H,13H2,1H3,(H,26,29)