ethyl 1-cyano-7-methyl-2-phenacylsulfanyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-7-methyl-2-phenacylsulfanyl-indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-7-methyl-2-phenacylsulfanyl-indolizine-3-carboxylate CAS Name: 1-cyano-7-methyl-2-(phenacylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-7-methyl-2-phenacylsulfanylindolizine-3-carboxylate Traditional Name: 1-cyano-7-methyl-2-(phenacylthio)indolizine-3-carboxylic acid ethyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC(=C2)C)C#N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC(=C2)C)C#N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c1-3-26-21(25)19-20(27-13-18(24)15-7-5-4-6-8-15)16(12-22)17-11-14(2)9-10-23(17)19/h4-11H,3,13H2,1-2H3