[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-[2-(phenylmethylsulfanyl)phenyl]methanone

Systemtic Name: [(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-[2-(phenylmethylsulfanyl)phenyl]methanone Openeye Name: (2-benzylsulfanylphenyl)-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]methanone CAS Name: [(2S)-2-(diphenylphosphinomethyl)-1-pyrrolidinyl]-[2-(phenylmethylthio)phenyl]methanone IUPAC Name: (2-benzylsulfanylphenyl)-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]methanone Traditional Name: [2-(benzylthio)phenyl]-[(2S)-2-(diphenylphosphinomethyl)pyrrolidino]methanone Formula: C31H30NOPS MolecularWeight: 495.614761

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CC=C2SCC3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CC=C2SCC3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30NOPS/c33-31(29-20-10-11-21-30(29)35-24-25-13-4-1-5-14-25)32-22-12-15-26(32)23-34(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-11,13-14,16-21,26H,12,15,22-24H2/t26-/m0/s1