ethyl 1-(pyridin-2-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)methylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-(pyridin-2-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-(2-pyridylmethyl)-2-[(2,3,5,6-tetramethylphenyl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-(2-pyridinylmethyl)-2-[(2,3,5,6-tetramethylphenyl)methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(pyridin-2-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-(2-pyridylmethyl)-2-[(2,3,5,6-tetramethylbenzyl)thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C(=CC(=C3C)C)C)C)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C(=CC(=C3C)C)C)C)CC4=CC=CC=N4

InChI

InChI=1S/C27H29N3O2S/c1-6-32-26(31)21-10-11-25-24(14-21)29-27(30(25)15-22-9-7-8-12-28-22)33-16-23-19(4)17(2)13-18(3)20(23)5/h7-14H,6,15-16H2,1-5H3