ethyl 1-cyano-2-[4-(1-cyano-3-ethoxycarbonyl-7-methyl-indolizin-2-yl)sulfanylbutylsulfanyl]-7-methyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-[4-(1-cyano-3-ethoxycarbonyl-7-methyl-indolizin-2-yl)sulfanylbutylsulfanyl]-7-methyl-indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-[4-(1-cyano-3-ethoxycarbonyl-7-methyl-indolizin-2-yl)sulfanylbutylsulfanyl]-7-methyl-indolizine-3-carboxylate CAS Name: 1-cyano-2-[4-[(1-cyano-3-ethoxycarbonyl-7-methyl-2-indolizinyl)thio]butylthio]-7-methyl-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-[4-(1-cyano-3-ethoxycarbonyl-7-methylindolizin-2-yl)sulfanylbutylsulfanyl]-7-methylindolizine-3-carboxylate Traditional Name: 2-[4-[(3-carbethoxy-1-cyano-7-methyl-indolizin-2-yl)thio]butylthio]-1-cyano-7-methyl-indolizine-3-carboxylic acid ethyl ester Formula: C30H30N4O4S2 MolecularWeight: 574.7136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N4O4S2/c1-5-37-29(35)25-27(21(17-31)23-15-19(3)9-11-33(23)25)39-13-7-8-14-40-28-22(18-32)24-16-20(4)10-12-34(24)26(28)30(36)38-6-2/h9-12,15-16H,5-8,13-14H2,1-4H3