2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-pyrrolidino-ethanone Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C21H22FNO3S/c22-18-10-16-12-25-21(15-6-2-1-3-7-15)26-20(16)17(11-18)13-27-14-19(24)23-8-4-5-9-23/h1-3,6-7,10-11,21H,4-5,8-9,12-14H2/t21-/m0/s1