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

Systemtic Name: 5-(2-methyl-1,3-thiazol-5-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-(2-methylthiazol-5-yl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-(2-methyl-5-thiazolyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-(2-methyl-1,3-thiazol-5-yl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-(2-methylthiazol-5-yl)cyclohexane-1,3-quinone Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=CN=C(S2)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=CN=C(S2)C)O

InChI

InChI=1S/C14H17NO3S/c1-3-4-10(16)14-11(17)5-9(6-12(14)18)13-7-15-8(2)19-13/h7,9,16H,3-6H2,1-2H3