2-benzo[g][1,3]benzothiazol-2-ylcyclohexane-1,3-dione

Systemtic Name: 2-benzo[g][1,3]benzothiazol-2-ylcyclohexane-1,3-dione Openeye Name: 2-benzo[g][1,3]benzothiazol-2-ylcyclohexane-1,3-dione CAS Name: 2-(2-benzo[g][1,3]benzothiazolyl)cyclohexane-1,3-dione IUPAC Name: 2-benzo[g][1,3]benzothiazol-2-ylcyclohexane-1,3-dione Traditional Name: 2-benzo[g][1,3]benzothiazol-2-ylcyclohexane-1,3-quinone Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C2=NC3=C(S2)C4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C2=NC3=C(S2)C4=CC=CC=C4C=C3

InChI

InChI=1S/C17H13NO2S/c19-13-6-3-7-14(20)15(13)17-18-12-9-8-10-4-1-2-5-11(10)16(12)21-17/h1-2,4-5,8-9,15H,3,6-7H2