ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-7-methyl-indolizin-2-yl)sulfanylpropylsulfanyl]-7-methyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-7-methyl-indolizin-2-yl)sulfanylpropylsulfanyl]-7-methyl-indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-7-methyl-indolizin-2-yl)sulfanylpropylsulfanyl]-7-methyl-indolizine-3-carboxylate CAS Name: 1-cyano-2-[3-[(1-cyano-3-ethoxycarbonyl-7-methyl-2-indolizinyl)thio]propylthio]-7-methyl-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-[3-(1-cyano-3-ethoxycarbonyl-7-methylindolizin-2-yl)sulfanylpropylsulfanyl]-7-methylindolizine-3-carboxylate Traditional Name: 2-[3-[(3-carbethoxy-1-cyano-7-methyl-indolizin-2-yl)thio]propylthio]-1-cyano-7-methyl-indolizine-3-carboxylic acid ethyl ester Formula: C29H28N4O4S2 MolecularWeight: 560.68702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O4S2/c1-5-36-28(34)24-26(20(16-30)22-14-18(3)8-10-32(22)24)38-12-7-13-39-27-21(17-31)23-15-19(4)9-11-33(23)25(27)29(35)37-6-2/h8-11,14-15H,5-7,12-13H2,1-4H3