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

Systemtic Name: (5S)-5-phenylmethoxy-1-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]azepan-2-one Openeye Name: (5S)-5-benzyloxy-1-[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]azepan-2-one CAS Name: (5S)-5-phenylmethoxy-1-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-2-azepanone IUPAC Name: (5S)-5-phenylmethoxy-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-2-one Traditional Name: (5S)-5-benzoxy-1-[(1S)-1-benzyl-2-(phenylthio)ethyl]azepan-2-one Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1OCC2=CC=CC=C2)C(CC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CC[C@H]1OCC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C28H31NO2S/c30-28-17-16-26(31-21-24-12-6-2-7-13-24)18-19-29(28)25(20-23-10-4-1-5-11-23)22-32-27-14-8-3-9-15-27/h1-15,25-26H,16-22H2/t25-,26-/m0/s1