ethyl 1-cyano-2-(2-cyanoethylsulfanyl)-7-methyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-(2-cyanoethylsulfanyl)-7-methyl-indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-2-(2-cyanoethylsulfanyl)-7-methyl-indolizine-3-carboxylate CAS Name: 1-cyano-2-(2-cyanoethylthio)-7-methyl-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-(2-cyanoethylsulfanyl)-7-methylindolizine-3-carboxylate Traditional Name: 1-cyano-2-(2-cyanoethylthio)-7-methyl-indolizine-3-carboxylic acid ethyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC(=C2)C)C#N)SCCC#N

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC(=C2)C)C#N)SCCC#N

InChI

InChI=1S/C16H15N3O2S/c1-3-21-16(20)14-15(22-8-4-6-17)12(10-18)13-9-11(2)5-7-19(13)14/h5,7,9H,3-4,8H2,1-2H3