1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]ethanone Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CSCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23NO3S/c23-21(15-26-14-16-5-2-1-3-6-16)22-10-4-7-18(22)17-8-9-19-20(13-17)25-12-11-24-19/h1-3,5-6,8-9,13,18H,4,7,10-12,14-15H2