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

Systemtic Name: ethyl 2-[1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[5-pyrrolidin-1-ylsulfonyl-1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[1-(2-oxolanylmethyl)-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[5-pyrrolidinosulfonyl-1-(tetrahydrofurfuryl)benzimidazol-2-yl]thio]propionic acid ethyl ester Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(N1CC3CCCO3)C=CC(=C2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(N1CC3CCCO3)C=CC(=C2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H29N3O5S2/c1-3-28-20(25)15(2)30-21-22-18-13-17(31(26,27)23-10-4-5-11-23)8-9-19(18)24(21)14-16-7-6-12-29-16/h8-9,13,15-16H,3-7,10-12,14H2,1-2H3