ethyl 1-ethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(3-morpholinosulfonylphenyl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[(3-morpholinosulfonylbenzyl)thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H27N3O5S2/c1-3-26-21-9-8-18(22(27)31-4-2)15-20(21)24-23(26)32-16-17-6-5-7-19(14-17)33(28,29)25-10-12-30-13-11-25/h5-9,14-15H,3-4,10-13,16H2,1-2H3