diethyl 2-[(4-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate

Systemtic Name: diethyl 2-[(4-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate Openeye Name: diethyl 2-[(4-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate CAS Name: 2-[(4-nitrophenyl)methylthio]indolizine-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate Traditional Name: 2-[(4-nitrobenzyl)thio]indolizine-1,3-dicarboxylic acid diethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C(=C1SCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C(=C1SCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H20N2O6S/c1-3-28-20(24)17-16-7-5-6-12-22(16)18(21(25)29-4-2)19(17)30-13-14-8-10-15(11-9-14)23(26)27/h5-12H,3-4,13H2,1-2H3