diethyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylindolizine-1,3-dicarboxylate

Systemtic Name: diethyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylindolizine-1,3-dicarboxylate Openeye Name: diethyl 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylindolizine-1,3-dicarboxylate CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]indolizine-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylindolizine-1,3-dicarboxylate Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]indolizine-1,3-dicarboxylic acid diethyl ester Formula: C22H20ClNO5S MolecularWeight: 445.9159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO5S/c1-3-28-21(26)18-16-7-5-6-12-24(16)19(22(27)29-4-2)20(18)30-13-17(25)14-8-10-15(23)11-9-14/h5-12H,3-4,13H2,1-2H3