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

Systemtic Name: 2-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]ethanone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC=C(N2C3CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CSC2=NC=C(N2C3CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C26H27N3O3S/c30-25(28-12-4-7-21(28)19-8-11-23-24(15-19)32-14-13-31-23)17-33-26-27-16-22(29(26)20-9-10-20)18-5-2-1-3-6-18/h1-3,5-6,8,11,15-16,20-21H,4,7,9-10,12-14,17H2/t21-/m0/s1