ethyl 1-(furan-2-ylmethyl)-2-[(2-methylnaphthalen-1-yl)methylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-(furan-2-ylmethyl)-2-[(2-methylnaphthalen-1-yl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-(2-furylmethyl)-2-[(2-methyl-1-naphthyl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-(2-furanylmethyl)-2-[(2-methyl-1-naphthalenyl)methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(furan-2-ylmethyl)-2-[(2-methylnaphthalen-1-yl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-(2-furfuryl)-2-[(2-methyl-1-naphthyl)methylthio]benzimidazole-5-carboxylic acid ethyl ester Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC4=CC=CC=C43)C)CC5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC4=CC=CC=C43)C)CC5=CC=CO5

InChI

InChI=1S/C27H24N2O3S/c1-3-31-26(30)20-12-13-25-24(15-20)28-27(29(25)16-21-8-6-14-32-21)33-17-23-18(2)10-11-19-7-4-5-9-22(19)23/h4-15H,3,16-17H2,1-2H3