[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl pyrrolidine-1-carbodithioate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl pyrrolidine-1-carbodithioate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C20H20FNO2S2 MolecularWeight: 389.506703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=S)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C20H20FNO2S2/c21-17-10-15-12-23-19(14-6-2-1-3-7-14)24-18(15)16(11-17)13-26-20(25)22-8-4-5-9-22/h1-3,6-7,10-11,19H,4-5,8-9,12-13H2/t19-/m0/s1