(2R)-2-[[5-isothiocyanato-2-(trifluoromethyl)phenoxy]methyl]-1-methyl-pyrrolidine

Systemtic Name: (2R)-2-[[5-isothiocyanato-2-(trifluoromethyl)phenoxy]methyl]-1-methyl-pyrrolidine Openeye Name: (2R)-2-[[5-isothiocyanato-2-(trifluoromethyl)phenoxy]methyl]-1-methyl-pyrrolidine CAS Name: (2R)-2-[[5-isothiocyanato-2-(trifluoromethyl)phenoxy]methyl]-1-methylpyrrolidine IUPAC Name: (2R)-2-[[5-isothiocyanato-2-(trifluoromethyl)phenoxy]methyl]-1-methylpyrrolidine Traditional Name: (2R)-2-[[5-isothiocyanato-2-(trifluoromethyl)phenoxy]methyl]-1-methyl-pyrrolidine Formula: C14H15F3N2OS MolecularWeight: 316.34191

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1COC2=C(C=CC(=C2)N=C=S)C(F)(F)F

Isomeric SMILES

CN1CCC[C@@H]1COC2=C(C=CC(=C2)N=C=S)C(F)(F)F

InChI

InChI=1S/C14H15F3N2OS/c1-19-6-2-3-11(19)8-20-13-7-10(18-9-21)4-5-12(13)14(15,16)17/h4-5,7,11H,2-3,6,8H2,1H3/t11-/m1/s1