2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)C2=C(NC(=C2)C)C)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)C2=C(NC(=C2)C)C)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O3S/c1-4-24-17(15-5-6-19-20(10-15)27-8-7-26-19)11-22-21(24)28-12-18(25)16-9-13(2)23-14(16)3/h5-6,9-11,23H,4,7-8,12H2,1-3H3