diethyl 2-phenacylsulfanylindolizine-1,3-dicarboxylate

Systemtic Name: diethyl 2-phenacylsulfanylindolizine-1,3-dicarboxylate Openeye Name: diethyl 2-phenacylsulfanylindolizine-1,3-dicarboxylate CAS Name: 2-(phenacylthio)indolizine-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-phenacylsulfanylindolizine-1,3-dicarboxylate Traditional Name: 2-(phenacylthio)indolizine-1,3-dicarboxylic acid diethyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C(=C1SCC(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C(=C1SCC(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H21NO5S/c1-3-27-21(25)18-16-12-8-9-13-23(16)19(22(26)28-4-2)20(18)29-14-17(24)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3