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

Systemtic Name: ethyl 1-cyano-2-[2-(1-cyano-3-ethoxycarbonyl-7-methyl-indolizin-2-yl)sulfanylethylsulfanyl]-7-methyl-indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-[2-(1-cyano-3-ethoxycarbonyl-7-methyl-indolizin-2-yl)sulfanylethylsulfanyl]-7-methyl-indolizine-3-carboxylate CAS Name: 1-cyano-2-[2-[(1-cyano-3-ethoxycarbonyl-7-methyl-2-indolizinyl)thio]ethylthio]-7-methyl-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-[2-(1-cyano-3-ethoxycarbonyl-7-methylindolizin-2-yl)sulfanylethylsulfanyl]-7-methylindolizine-3-carboxylate Traditional Name: 2-[2-[(3-carbethoxy-1-cyano-7-methyl-indolizin-2-yl)thio]ethylthio]-1-cyano-7-methyl-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)C#N)SCCSC3=C(N4C=CC(=CC4=C3C#N)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O4S2/c1-5-35-27(33)23-25(19(15-29)21-13-17(3)7-9-31(21)23)37-11-12-38-26-20(16-30)22-14-18(4)8-10-32(22)24(26)28(34)36-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3