ethyl 1-(furan-2-ylmethyl)-2-[(3-methylphenyl)methylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-(furan-2-ylmethyl)-2-[(3-methylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-(2-furylmethyl)-2-(m-tolylmethylsulfanyl)benzimidazole-5-carboxylate CAS Name: 1-(2-furanylmethyl)-2-[(3-methylphenyl)methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(furan-2-ylmethyl)-2-[(3-methylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-(2-furfuryl)-2-[(3-methylbenzyl)thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC(=C3)C)CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC(=C3)C)CC4=CC=CO4

InChI

InChI=1S/C23H22N2O3S/c1-3-27-22(26)18-9-10-21-20(13-18)24-23(25(21)14-19-8-5-11-28-19)29-15-17-7-4-6-16(2)12-17/h4-13H,3,14-15H2,1-2H3