ethyl 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate CAS Name: 2-[(3,5-dimethoxyphenyl)methylthio]-1-[(3-fluorophenyl)methyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1-[(3-fluorophenyl)methyl]benzimidazole-5-carboxylate Traditional Name: 2-[(3,5-dimethoxybenzyl)thio]-1-(3-fluorobenzyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C26H25FN2O4S MolecularWeight: 480.551103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=CC(=C3)OC)OC)CC4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=CC(=C3)OC)OC)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H25FN2O4S/c1-4-33-25(30)19-8-9-24-23(13-19)28-26(29(24)15-17-6-5-7-20(27)10-17)34-16-18-11-21(31-2)14-22(12-18)32-3/h5-14H,4,15-16H2,1-3H3