(5S)-5-oxidanyl-1-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]azepan-2-one

Systemtic Name: (5S)-5-oxidanyl-1-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]azepan-2-one Openeye Name: (5S)-1-[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]-5-hydroxy-azepan-2-one CAS Name: (5S)-5-hydroxy-1-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-2-azepanone IUPAC Name: (5S)-5-hydroxy-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-2-one Traditional Name: (5S)-1-[(1S)-1-benzyl-2-(phenylthio)ethyl]-5-hydroxy-azepan-2-one Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1O)C(CC2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(CC[C@H]1O)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c23-19-11-12-21(24)22(14-13-19)18(15-17-7-3-1-4-8-17)16-25-20-9-5-2-6-10-20/h1-10,18-19,23H,11-16H2/t18-,19-/m0/s1