ethyl 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC2=C(C=CO2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC2=C(C=CO2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O5S/c1-3-23-16(14-5-6-17-18(11-14)28-10-9-27-17)12-22-21(23)29-13-19-15(7-8-26-19)20(24)25-4-2/h5-8,11-12H,3-4,9-10,13H2,1-2H3