5-(2-ethylsulfanylpropyl)-2-[(3-methyl-1,2-oxazol-5-yl)carbonyl]cyclohexane-1,3-dione

Systemtic Name: 5-(2-ethylsulfanylpropyl)-2-[(3-methyl-1,2-oxazol-5-yl)carbonyl]cyclohexane-1,3-dione Openeye Name: 5-(2-ethylsulfanylpropyl)-2-(3-methylisoxazole-5-carbonyl)cyclohexane-1,3-dione CAS Name: 5-[2-(ethylthio)propyl]-2-[(3-methyl-5-isoxazolyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(2-ethylsulfanylpropyl)-2-(3-methyl-1,2-oxazole-5-carbonyl)cyclohexane-1,3-dione Traditional Name: 5-[2-(ethylthio)propyl]-2-(3-methylisoxazole-5-carbonyl)cyclohexane-1,3-quinone Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)CC1CC(=O)C(C(=O)C1)C(=O)C2=CC(=NO2)C

Isomeric SMILES

CCSC(C)CC1CC(=O)C(C(=O)C1)C(=O)C2=CC(=NO2)C

InChI

InChI=1S/C16H21NO4S/c1-4-22-10(3)6-11-7-12(18)15(13(19)8-11)16(20)14-5-9(2)17-21-14/h5,10-11,15H,4,6-8H2,1-3H3