5-(5-methyl-1,2-thiazol-3-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(5-methyl-1,2-thiazol-3-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-(5-methylisothiazol-3-yl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-(5-methyl-3-isothiazolyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-(5-methyl-1,2-thiazol-3-yl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-(5-methylisothiazol-3-yl)cyclohexane-1,3-quinone Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=NSC(=C2)C)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=NSC(=C2)C)O

InChI

InChI=1S/C13H15NO3S/c1-3-10(15)13-11(16)5-8(6-12(13)17)9-4-7(2)18-14-9/h4,8,15H,3,5-6H2,1-2H3