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

Systemtic Name: 2-[(2-chloranyl-4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(2-chloro-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2-chloro-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2-chloro-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3S/c1-8-9(4-5-12-14(8)19-16(18)23-12)15(22)13-10(20)6-17(2,3)7-11(13)21/h4-5,22H,6-7H2,1-3H3