2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C23H20FNO3S MolecularWeight: 409.473203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C3=CC(=CC=C3)F)C(=C4C(=O)CC(CC4=O)(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C3=CC(=CC=C3)F)C(=C4C(=O)CC(CC4=O)(C)C)O

InChI

InChI=1S/C23H20FNO3S/c1-12-15(21(28)19-16(26)10-23(2,3)11-17(19)27)7-8-18-20(12)25-22(29-18)13-5-4-6-14(24)9-13/h4-9,28H,10-11H2,1-3H3