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

Systemtic Name: propan-2-yl 2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetic acid isopropyl ester Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S2/c1-4-21-16-6-5-14(28(23,24)20-7-9-25-10-8-20)11-15(16)19-18(21)27-12-17(22)26-13(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3