ethyl 2-[2-(2-ethoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(2-ethoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(2-ethoxyethylamino)-2-oxo-ethyl]sulfanyl-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate CAS Name: 2-[[2-(2-ethoxyethylamino)-2-oxoethyl]thio]-1-[(3-fluorophenyl)methyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-ethoxyethylamino)-2-oxoethyl]sulfanyl-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate Traditional Name: 2-[[2-(2-ethoxyethylamino)-2-keto-ethyl]thio]-1-(3-fluorobenzyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC(=O)CSC1=NC2=C(N1CC3=CC(=CC=C3)F)C=CC(=C2)C(=O)OCC

Isomeric SMILES

CCOCCNC(=O)CSC1=NC2=C(N1CC3=CC(=CC=C3)F)C=CC(=C2)C(=O)OCC

InChI

InChI=1S/C23H26FN3O4S/c1-3-30-11-10-25-21(28)15-32-23-26-19-13-17(22(29)31-4-2)8-9-20(19)27(23)14-16-6-5-7-18(24)12-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,25,28)