ethyl 2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C(C=CO4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C(C=CO4)C(=O)OCC

InChI

InChI=1S/C21H25N3O6S2/c1-3-24-18-6-5-15(32(26,27)23-8-11-28-12-9-23)13-17(18)22-21(24)31-14-19-16(7-10-30-19)20(25)29-4-2/h5-7,10,13H,3-4,8-9,11-12,14H2,1-2H3