6-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one

Systemtic Name: 6-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one Openeye Name: 6-[3-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]-2-hydroxy-3-phenethylsulfanyl-pyran-4-one CAS Name: 6-[3-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl]-2-hydroxy-3-(phenethylthio)-4-pyranone IUPAC Name: 6-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-2-hydroxy-3-phenethylsulfanylpyran-4-one Traditional Name: 6-[3-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]-2-hydroxy-3-(phenethylthio)pyran-4-one Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO5S/c1-16-21(17(2)31-26-16)15-29-20-10-6-9-19(13-20)23-14-22(27)24(25(28)30-23)32-12-11-18-7-4-3-5-8-18/h3-10,13-14,28H,11-12,15H2,1-2H3