ethyl 2-[5-(diethylsulfamoyl)-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[5-(diethylsulfamoyl)-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[5-(diethylsulfamoyl)-1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[5-(diethylsulfamoyl)-1-(2-oxolanylmethyl)-2-benzimidazolyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(diethylsulfamoyl)-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[5-(diethylsulfamoyl)-1-(tetrahydrofurfuryl)benzimidazol-2-yl]thio]propionic acid ethyl ester Formula: C21H31N3O5S2 MolecularWeight: 469.61794

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SC(C)C(=O)OCC)CC3CCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SC(C)C(=O)OCC)CC3CCCO3

InChI

InChI=1S/C21H31N3O5S2/c1-5-23(6-2)31(26,27)17-10-11-19-18(13-17)22-21(30-15(4)20(25)28-7-3)24(19)14-16-9-8-12-29-16/h10-11,13,15-16H,5-9,12,14H2,1-4H3