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

Systemtic Name: 5-[(2R)-2-ethylsulfanylpropyl]-2-[(3-methyl-1,2-oxazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 5-[(2R)-2-ethylsulfanylpropyl]-2-[hydroxy-(3-methylisoxazol-5-yl)methylene]cyclohexane-1,3-dione CAS Name: 5-[(2R)-2-(ethylthio)propyl]-2-[hydroxy-(3-methyl-5-isoxazolyl)methylidene]cyclohexane-1,3-dione IUPAC Name: 5-[(2R)-2-ethylsulfanylpropyl]-2-[hydroxy-(3-methyl-1,2-oxazol-5-yl)methylidene]cyclohexane-1,3-dione Traditional Name: 5-[(2R)-2-(ethylthio)propyl]-2-[hydroxy-(3-methylisoxazol-5-yl)methylene]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(C2=CC(=NO2)C)O)C(=O)C1

Isomeric SMILES

CCS[C@H](C)CC1CC(=O)C(=C(C2=CC(=NO2)C)O)C(=O)C1

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/h5,10-11,20H,4,6-8H2,1-3H3/t10-,11?/m1/s1