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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]ethanone Formula: C20H20BrNO3S MolecularWeight: 434.3467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CSC2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20BrNO3S/c21-15-4-6-16(7-5-15)26-13-20(23)22-9-1-2-17(22)14-3-8-18-19(12-14)25-11-10-24-18/h3-8,12,17H,1-2,9-11,13H2/t17-/m0/s1