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

Systemtic Name: ethyl 2-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NC2=C(C=CS2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NC2=C(C=CS2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O5S2/c1-3-25-16(14-5-6-17-18(11-14)30-9-8-29-17)12-23-22(25)32-13-19(26)24-20-15(7-10-31-20)21(27)28-4-2/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,24,26)