(2S)-2-[(2-chloranyl-5-isothiocyanato-phenoxy)methyl]-1-methyl-pyrrolidine

Systemtic Name: (2S)-2-[(2-chloranyl-5-isothiocyanato-phenoxy)methyl]-1-methyl-pyrrolidine Openeye Name: (2S)-2-[(2-chloro-5-isothiocyanato-phenoxy)methyl]-1-methyl-pyrrolidine CAS Name: (2S)-2-[(2-chloro-5-isothiocyanatophenoxy)methyl]-1-methylpyrrolidine IUPAC Name: (2S)-2-[(2-chloro-5-isothiocyanatophenoxy)methyl]-1-methylpyrrolidine Traditional Name: (2S)-2-[(2-chloro-5-isothiocyanato-phenoxy)methyl]-1-methyl-pyrrolidine Formula: C13H15ClN2OS MolecularWeight: 282.789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2OS/c1-16-6-2-3-11(16)8-17-13-7-10(15-9-18)4-5-12(13)14/h4-5,7,11H,2-3,6,8H2,1H3/t11-/m0/s1