tert-butyl 2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetic acid tert-butyl ester Formula: C19H27N3O5S2 MolecularWeight: 441.56478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C19H27N3O5S2/c1-5-22-16-7-6-14(29(24,25)21-8-10-26-11-9-21)12-15(16)20-18(22)28-13-17(23)27-19(2,3)4/h6-7,12H,5,8-11,13H2,1-4H3