2-[(3,4-dimethyl-2-oxidanylidene-1,3-benzothiazol-5-yl)carbonyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(3,4-dimethyl-2-oxidanylidene-1,3-benzothiazol-5-yl)carbonyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(3,4-dimethyl-2-oxo-1,3-benzothiazole-5-carbonyl)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(3,4-dimethyl-2-oxo-1,3-benzothiazol-5-yl)-oxomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(3,4-dimethyl-2-oxo-1,3-benzothiazole-5-carbonyl)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(2-keto-3,4-dimethyl-1,3-benzothiazole-5-carbonyl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=O)S2)C)C(=O)C3C(=O)CC(CC3=O)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=O)S2)C)C(=O)C3C(=O)CC(CC3=O)(C)C

InChI

InChI=1S/C18H19NO4S/c1-9-10(5-6-13-15(9)19(4)17(23)24-13)16(22)14-11(20)7-18(2,3)8-12(14)21/h5-6,14H,7-8H2,1-4H3