1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-[(4-methoxy-3-nitro-benzyl)thio]ethanone Formula: C22H24N2O6S MolecularWeight: 444.50076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6S/c1-28-19-6-4-15(11-18(19)24(26)27)13-31-14-22(25)23-8-2-3-17(23)16-5-7-20-21(12-16)30-10-9-29-20/h4-7,11-12,17H,2-3,8-10,13-14H2,1H3