1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one CAS Name: 1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-[2-(2,5-dimethoxyphenyl)pyrrolidino]propan-1-one Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C2=C(C=CC(=C2)OC)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCC1C2=C(C=CC(=C2)OC)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S/c1-16(27-15-17-8-5-4-6-9-17)22(24)23-13-7-10-20(23)19-14-18(25-2)11-12-21(19)26-3/h4-6,8-9,11-12,14,16,20H,7,10,13,15H2,1-3H3