1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-[(1-methyl-5-phenyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylethanone Traditional Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]ethanone Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=CN=C1SCC(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N3O3S/c1-26-20(17-6-3-2-4-7-17)15-25-24(26)31-16-23(28)27-11-5-8-19(27)18-9-10-21-22(14-18)30-13-12-29-21/h2-4,6-7,9-10,14-15,19H,5,8,11-13,16H2,1H3/t19-/m0/s1