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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2,5-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H18N2O4S MolecularWeight: 442.48642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H18N2O4S/c1-14-7-8-15(2)20(11-14)27-23(28)17-10-9-16(12-18(17)24(27)29)25(30)31-13-22-26-19-5-3-4-6-21(19)32-22/h3-12H,13H2,1-2H3