ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-6,8-dimethyl-indolizin-2-yl)sulfanylpropylsulfanyl]-6,8-dimethyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-6,8-dimethyl-indolizin-2-yl)sulfanylpropylsulfanyl]-6,8-dimethyl-indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-6,8-dimethyl-indolizin-2-yl)sulfanylpropylsulfanyl]-6,8-dimethyl-indolizine-3-carboxylate CAS Name: 1-cyano-2-[3-[(1-cyano-3-ethoxycarbonyl-6,8-dimethyl-2-indolizinyl)thio]propylthio]-6,8-dimethyl-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-6,8-dimethylindolizin-2-yl)sulfanylpropylsulfanyl]-6,8-dimethylindolizine-3-carboxylate Traditional Name: 2-[3-[(3-carbethoxy-1-cyano-6,8-dimethyl-indolizin-2-yl)thio]propylthio]-1-cyano-6,8-dimethyl-indolizine-3-carboxylic acid ethyl ester Formula: C31H32N4O4S2 MolecularWeight: 588.74018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCCCSC3=C(N4C=C(C=C(C4=C3C#N)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCCCSC3=C(N4C=C(C=C(C4=C3C#N)C)C)C(=O)OCC

InChI

InChI=1S/C31H32N4O4S2/c1-7-38-30(36)26-28(22(14-32)24-20(5)12-18(3)16-34(24)26)40-10-9-11-41-29-23(15-33)25-21(6)13-19(4)17-35(25)27(29)31(37)39-8-2/h12-13,16-17H,7-11H2,1-6H3