2-[4-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(2-keto-3-methyl-1,3-benzothiazol-6-yl)butyl]isoindoline-1,3-quinone Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

InChI

InChI=1S/C20H18N2O3S/c1-21-16-10-9-13(12-17(16)26-20(21)25)6-4-5-11-22-18(23)14-7-2-3-8-15(14)19(22)24/h2-3,7-10,12H,4-6,11H2,1H3