ethyl 2-[5-[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentylsulfanylcarbonyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[5-[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentylsulfanylcarbonyl]-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[5-(6-ethoxycarbonyl-1H-benzimidazole-2-carbonyl)sulfanylpentylsulfanylcarbonyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[[5-[[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)-oxomethyl]thio]pentylthio]-oxomethyl]-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-(6-ethoxycarbonyl-1H-benzimidazole-2-carbonyl)sulfanylpentylsulfanylcarbonyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[5-[(6-carbethoxy-1H-benzimidazole-2-carbonyl)thio]pentylthio]carbonyl-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C27H28N4O6S2 MolecularWeight: 568.66442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)C(=O)OCC

InChI

InChI=1S/C27H28N4O6S2/c1-3-36-24(32)16-8-10-18-20(14-16)30-22(28-18)26(34)38-12-6-5-7-13-39-27(35)23-29-19-11-9-17(15-21(19)31-23)25(33)37-4-2/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,28,30)(H,29,31)