ethyl 2-[(4-methylnaphthalen-1-yl)methylsulfanyl]-1-(phenylmethyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(4-methylnaphthalen-1-yl)methylsulfanyl]-1-(phenylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 1-benzyl-2-[(4-methyl-1-naphthyl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 2-[(4-methyl-1-naphthalenyl)methylthio]-1-(phenylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-[(4-methylnaphthalen-1-yl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-benzyl-2-[(4-methyl-1-naphthyl)methylthio]benzimidazole-5-carboxylic acid ethyl ester Formula: C29H26N2O2S MolecularWeight: 466.59394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C4=CC=CC=C34)C)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C4=CC=CC=C34)C)CC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O2S/c1-3-33-28(32)22-15-16-27-26(17-22)30-29(31(27)18-21-9-5-4-6-10-21)34-19-23-14-13-20(2)24-11-7-8-12-25(23)24/h4-17H,3,18-19H2,1-2H3