1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-(phenylthio)-1-propanone IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-(phenylthio)propan-1-one Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C2=CC3=C(C=C2)OCCO3)SC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCC1C2=CC3=C(C=C2)OCCO3)SC4=CC=CC=C4

InChI

InChI=1S/C21H23NO3S/c1-15(26-17-6-3-2-4-7-17)21(23)22-11-5-8-18(22)16-9-10-19-20(14-16)25-13-12-24-19/h2-4,6-7,9-10,14-15,18H,5,8,11-13H2,1H3