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

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-fluorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-fluorophenyl)sulfanyl-propan-1-one CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-[(2-fluorophenyl)thio]-1-propanone IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-fluorophenyl)sulfanylpropan-1-one Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-[(2-fluorophenyl)thio]propan-1-one Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCSC2=CC=CC=C2F)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CCSC2=CC=CC=C2F)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22FNO3S/c22-16-4-1-2-6-20(16)27-13-9-21(24)23-10-3-5-17(23)15-7-8-18-19(14-15)26-12-11-25-18/h1-2,4,6-8,14,17H,3,5,9-13H2