ethyl 1-[[3-ethoxycarbonyl-2-(phenylmethylsulfanyl)indolizin-1-yl]disulfanyl]-2-(phenylmethylsulfanyl)indolizine-3-carboxylate

Systemtic Name: ethyl 1-[[3-ethoxycarbonyl-2-(phenylmethylsulfanyl)indolizin-1-yl]disulfanyl]-2-(phenylmethylsulfanyl)indolizine-3-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[(2-benzylsulfanyl-3-ethoxycarbonyl-indolizin-1-yl)disulfanyl]indolizine-3-carboxylate CAS Name: 1-[[3-ethoxycarbonyl-2-(phenylmethylthio)-1-indolizinyl]disulfanyl]-2-(phenylmethylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[(2-benzylsulfanyl-3-ethoxycarbonylindolizin-1-yl)disulfanyl]indolizine-3-carboxylate Traditional Name: 2-(benzylthio)-1-[[2-(benzylthio)-3-carbethoxy-indolizin-1-yl]disulfanyl]indolizine-3-carboxylic acid ethyl ester Formula: C36H32N2O4S4 MolecularWeight: 684.91028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC=C2)SSC3=C4C=CC=CN4C(=C3SCC5=CC=CC=C5)C(=O)OCC)SCC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC=C2)SSC3=C4C=CC=CN4C(=C3SCC5=CC=CC=C5)C(=O)OCC)SCC6=CC=CC=C6

InChI

InChI=1S/C36H32N2O4S4/c1-3-41-35(39)29-33(43-23-25-15-7-5-8-16-25)31(27-19-11-13-21-37(27)29)45-46-32-28-20-12-14-22-38(28)30(36(40)42-4-2)34(32)44-24-26-17-9-6-10-18-26/h5-22H,3-4,23-24H2,1-2H3