4-[2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethyl]-5-methyl-1,2-oxazol-3-one

Systemtic Name: 4-[2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethyl]-5-methyl-1,2-oxazol-3-one Openeye Name: 4-[2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethyl]-5-methyl-isoxazol-3-one CAS Name: 4-[2-[2-(1,3-benzodioxol-5-yl)ethylthio]ethyl]-5-methyl-3-isoxazolone IUPAC Name: 4-[2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethyl]-5-methyl-1,2-oxazol-3-one Traditional Name: 4-[2-(homopiperonylthio)ethyl]-5-methyl-4-isoxazolin-3-one Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NO1)CCSCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=O)NO1)CCSCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17NO4S/c1-10-12(15(17)16-20-10)5-7-21-6-4-11-2-3-13-14(8-11)19-9-18-13/h2-3,8H,4-7,9H2,1H3,(H,16,17)