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

Systemtic Name: 3-[1,1-bis(methylsulfanyl)-2-oxidanyl-butan-2-yl]-1-ethanoyl-azepan-2-one Openeye Name: 1-acetyl-3-[1-[bis(methylsulfanyl)methyl]-1-hydroxy-propyl]azepan-2-one CAS Name: 1-acetyl-3-[2-hydroxy-1,1-bis(methylthio)butan-2-yl]-2-azepanone IUPAC Name: 1-acetyl-3-[2-hydroxy-1,1-bis(methylsulfanyl)butan-2-yl]azepan-2-one Traditional Name: 1-acetyl-3-[1-[bis(methylthio)methyl]-1-hydroxy-propyl]azepan-2-one Formula: C14H25NO3S2 MolecularWeight: 319.4832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCN(C1=O)C(=O)C)(C(SC)SC)O

Isomeric SMILES

CCC(C1CCCCN(C1=O)C(=O)C)(C(SC)SC)O

InChI

InChI=1S/C14H25NO3S2/c1-5-14(18,13(19-3)20-4)11-8-6-7-9-15(10(2)16)12(11)17/h11,13,18H,5-9H2,1-4H3