ethyl 1-[[3-ethoxycarbonyl-7-methyl-2-(phenylmethylsulfanyl)indolizin-1-yl]disulfanyl]-7-methyl-2-(phenylmethylsulfanyl)indolizine-3-carboxylate

Systemtic Name: ethyl 1-[[3-ethoxycarbonyl-7-methyl-2-(phenylmethylsulfanyl)indolizin-1-yl]disulfanyl]-7-methyl-2-(phenylmethylsulfanyl)indolizine-3-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[(2-benzylsulfanyl-3-ethoxycarbonyl-7-methyl-indolizin-1-yl)disulfanyl]-7-methyl-indolizine-3-carboxylate CAS Name: 1-[[3-ethoxycarbonyl-7-methyl-2-(phenylmethylthio)-1-indolizinyl]disulfanyl]-7-methyl-2-(phenylmethylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[(2-benzylsulfanyl-3-ethoxycarbonyl-7-methylindolizin-1-yl)disulfanyl]-7-methylindolizine-3-carboxylate Traditional Name: 2-(benzylthio)-1-[[2-(benzylthio)-3-carbethoxy-7-methyl-indolizin-1-yl]disulfanyl]-7-methyl-indolizine-3-carboxylic acid ethyl ester Formula: C38H36N2O4S4 MolecularWeight: 712.96344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H36N2O4S4/c1-5-43-37(41)31-35(45-23-27-13-9-7-10-14-27)33(29-21-25(3)17-19-39(29)31)47-48-34-30-22-26(4)18-20-40(30)32(38(42)44-6-2)36(34)46-24-28-15-11-8-12-16-28/h7-22H,5-6,23-24H2,1-4H3