diethyl 7-methyl-2-[(2-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate

Systemtic Name: diethyl 7-methyl-2-[(2-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate Openeye Name: diethyl 7-methyl-2-[(2-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate CAS Name: 7-methyl-2-[(2-nitrophenyl)methylthio]indolizine-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 7-methyl-2-[(2-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate Traditional Name: 7-methyl-2-[(2-nitrobenzyl)thio]indolizine-1,3-dicarboxylic acid diethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-4-29-21(25)18-17-12-14(3)10-11-23(17)19(22(26)30-5-2)20(18)31-13-15-8-6-7-9-16(15)24(27)28/h6-12H,4-5,13H2,1-3H3