ethyl 1-cyano-2-[[4-[(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-[[4-[(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-[[4-[(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]indolizine-3-carboxylate CAS Name: 1-cyano-2-[[4-[[(1-cyano-3-ethoxycarbonyl-2-indolizinyl)thio]methyl]phenyl]methylthio]-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-[[4-[(1-cyano-3-ethoxycarbonylindolizin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]indolizine-3-carboxylate Traditional Name: 2-[[4-[[(3-carbethoxy-1-cyano-indolizin-2-yl)thio]methyl]benzyl]thio]-1-cyano-indolizine-3-carboxylic acid ethyl ester Formula: C32H26N4O4S2 MolecularWeight: 594.70324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCC3=CC=C(C=C3)CSC4=C(N5C=CC=CC5=C4C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCC3=CC=C(C=C3)CSC4=C(N5C=CC=CC5=C4C#N)C(=O)OCC

InChI

InChI=1S/C32H26N4O4S2/c1-3-39-31(37)27-29(23(17-33)25-9-5-7-15-35(25)27)41-19-21-11-13-22(14-12-21)20-42-30-24(18-34)26-10-6-8-16-36(26)28(30)32(38)40-4-2/h5-16H,3-4,19-20H2,1-2H3