ethyl 2-[5-(5-ethoxycarbonyl-1-propanoyl-benzimidazol-2-yl)carbonylsulfanylpentylsulfanylcarbonyl]-3-propanoyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[5-(5-ethoxycarbonyl-1-propanoyl-benzimidazol-2-yl)carbonylsulfanylpentylsulfanylcarbonyl]-3-propanoyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[5-(5-ethoxycarbonyl-1-propanoyl-benzimidazole-2-carbonyl)sulfanylpentylsulfanylcarbonyl]-3-propanoyl-benzimidazole-5-carboxylate CAS Name: 2-[[5-[[[5-ethoxycarbonyl-1-(1-oxopropyl)-2-benzimidazolyl]-oxomethyl]thio]pentylthio]-oxomethyl]-3-(1-oxopropyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-(5-ethoxycarbonyl-1-propanoylbenzimidazole-2-carbonyl)sulfanylpentylsulfanylcarbonyl]-3-propanoylbenzimidazole-5-carboxylate Traditional Name: 2-[5-[(5-carbethoxy-1-propionyl-benzimidazole-2-carbonyl)thio]pentylthio]carbonyl-3-propionyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C33H36N4O8S2 MolecularWeight: 680.79094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2=C(C=C(C=C2)C(=O)OCC)N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)C(=O)OCC

Isomeric SMILES

CCC(=O)N1C2=C(C=C(C=C2)C(=O)OCC)N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)C(=O)OCC

InChI

InChI=1S/C33H36N4O8S2/c1-5-26(38)36-24-15-13-20(30(40)44-7-3)18-23(24)35-29(36)33(43)47-17-11-9-10-16-46-32(42)28-34-22-14-12-21(31(41)45-8-4)19-25(22)37(28)27(39)6-2/h12-15,18-19H,5-11,16-17H2,1-4H3