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

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-(phenylthio)ethanone Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21NO3S/c22-20(14-25-16-5-2-1-3-6-16)21-10-4-7-17(21)15-8-9-18-19(13-15)24-12-11-23-18/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2