ethyl 1-(furan-2-ylmethyl)-2-(quinolin-8-ylmethylsulfanyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-(furan-2-ylmethyl)-2-(quinolin-8-ylmethylsulfanyl)benzimidazole-5-carboxylate Openeye Name: ethyl 1-(2-furylmethyl)-2-(8-quinolylmethylsulfanyl)benzimidazole-5-carboxylate CAS Name: 1-(2-furanylmethyl)-2-(8-quinolinylmethylthio)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(furan-2-ylmethyl)-2-(quinolin-8-ylmethylsulfanyl)benzimidazole-5-carboxylate Traditional Name: 1-(2-furfuryl)-2-(8-quinolylmethylthio)benzimidazole-5-carboxylic acid ethyl ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CO5

InChI

InChI=1S/C25H21N3O3S/c1-2-30-24(29)18-10-11-22-21(14-18)27-25(28(22)15-20-9-5-13-31-20)32-16-19-7-3-6-17-8-4-12-26-23(17)19/h3-14H,2,15-16H2,1H3