3-[1,1-bis(methylsulfanyl)-2-oxidanyl-butan-2-yl]azepan-2-one

Systemtic Name: 3-[1,1-bis(methylsulfanyl)-2-oxidanyl-butan-2-yl]azepan-2-one Openeye Name: 3-[1-[bis(methylsulfanyl)methyl]-1-hydroxy-propyl]azepan-2-one CAS Name: 3-[2-hydroxy-1,1-bis(methylthio)butan-2-yl]-2-azepanone IUPAC Name: 3-[2-hydroxy-1,1-bis(methylsulfanyl)butan-2-yl]azepan-2-one Traditional Name: 3-[1-[bis(methylthio)methyl]-1-hydroxy-propyl]azepan-2-one Formula: C12H23NO2S2 MolecularWeight: 277.44652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCNC1=O)(C(SC)SC)O

Isomeric SMILES

CCC(C1CCCCNC1=O)(C(SC)SC)O

InChI

InChI=1S/C12H23NO2S2/c1-4-12(15,11(16-2)17-3)9-7-5-6-8-13-10(9)14/h9,11,15H,4-8H2,1-3H3,(H,13,14)