ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylpropylsulfanyl]indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylpropylsulfanyl]indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylpropylsulfanyl]indolizine-3-carboxylate CAS Name: 1-cyano-2-[3-[(1-cyano-3-ethoxycarbonyl-2-indolizinyl)thio]propylthio]-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonylindolizin-2-yl)sulfanylpropylsulfanyl]indolizine-3-carboxylate Traditional Name: 2-[3-[(3-carbethoxy-1-cyano-indolizin-2-yl)thio]propylthio]-1-cyano-indolizine-3-carboxylic acid ethyl ester Formula: C27H24N4O4S2 MolecularWeight: 532.63386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCCCSC3=C(N4C=CC=CC4=C3C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCCCSC3=C(N4C=CC=CC4=C3C#N)C(=O)OCC

InChI

InChI=1S/C27H24N4O4S2/c1-3-34-26(32)22-24(18(16-28)20-10-5-7-12-30(20)22)36-14-9-15-37-25-19(17-29)21-11-6-8-13-31(21)23(25)27(33)35-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3