5-oxidanyl-1-(2-phenylsulfanylethyl)azepan-2-one

Systemtic Name: 5-oxidanyl-1-(2-phenylsulfanylethyl)azepan-2-one Openeye Name: 5-hydroxy-1-(2-phenylsulfanylethyl)azepan-2-one CAS Name: 5-hydroxy-1-[2-(phenylthio)ethyl]-2-azepanone IUPAC Name: 5-hydroxy-1-(2-phenylsulfanylethyl)azepan-2-one Traditional Name: 5-hydroxy-1-[2-(phenylthio)ethyl]azepan-2-one Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1O)CCSC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)N(CCC1O)CCSC2=CC=CC=C2

InChI

InChI=1S/C14H19NO2S/c16-12-6-7-14(17)15(9-8-12)10-11-18-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2