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

Systemtic Name: 2-[[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[hydroxy-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[hydroxy-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[hydroxy-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C24H23NO4S MolecularWeight: 421.50872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO4S/c1-13-16(22(28)20-17(26)11-24(2,3)12-18(20)27)9-10-19-21(13)25-23(30-19)14-5-7-15(29-4)8-6-14/h5-10,28H,11-12H2,1-4H3