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

Systemtic Name: ethyl 1-cyano-2-[2-(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylethylsulfanyl]indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-[2-(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylethylsulfanyl]indolizine-3-carboxylate CAS Name: 1-cyano-2-[2-[(1-cyano-3-ethoxycarbonyl-2-indolizinyl)thio]ethylthio]-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-[2-(1-cyano-3-ethoxycarbonylindolizin-2-yl)sulfanylethylsulfanyl]indolizine-3-carboxylate Traditional Name: 2-[2-[(3-carbethoxy-1-cyano-indolizin-2-yl)thio]ethylthio]-1-cyano-indolizine-3-carboxylic acid ethyl ester Formula: C26H22N4O4S2 MolecularWeight: 518.60728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCCSC3=C(N4C=CC=CC4=C3C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCCSC3=C(N4C=CC=CC4=C3C#N)C(=O)OCC

InChI

InChI=1S/C26H22N4O4S2/c1-3-33-25(31)21-23(17(15-27)19-9-5-7-11-29(19)21)35-13-14-36-24-18(16-28)20-10-6-8-12-30(20)22(24)26(32)34-4-2/h5-12H,3-4,13-14H2,1-2H3