2-(1,3-benzothiazol-2-yl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C23H11N3O4S MolecularWeight: 425.41614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C23H11N3O4S/c27-20-13-10-9-12(19-24-16-6-2-1-5-14(16)22(29)30-19)11-15(13)21(28)26(20)23-25-17-7-3-4-8-18(17)31-23/h1-11H