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

Systemtic Name: ethyl 1-cyano-2-[4-(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylbutylsulfanyl]indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-[4-(1-cyano-3-ethoxycarbonyl-indolizin-2-yl)sulfanylbutylsulfanyl]indolizine-3-carboxylate CAS Name: 1-cyano-2-[4-[(1-cyano-3-ethoxycarbonyl-2-indolizinyl)thio]butylthio]-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-[4-(1-cyano-3-ethoxycarbonylindolizin-2-yl)sulfanylbutylsulfanyl]indolizine-3-carboxylate Traditional Name: 2-[4-[(3-carbethoxy-1-cyano-indolizin-2-yl)thio]butylthio]-1-cyano-indolizine-3-carboxylic acid ethyl ester Formula: C28H26N4O4S2 MolecularWeight: 546.66044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCCCCSC3=C(N4C=CC=CC4=C3C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C#N)SCCCCSC3=C(N4C=CC=CC4=C3C#N)C(=O)OCC

InChI

InChI=1S/C28H26N4O4S2/c1-3-35-27(33)23-25(19(17-29)21-11-5-7-13-31(21)23)37-15-9-10-16-38-26-20(18-30)22-12-6-8-14-32(22)24(26)28(34)36-4-2/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3