diethyl 2-methylsulfanyl-1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylate

Systemtic Name: diethyl 2-methylsulfanyl-1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylate Openeye Name: diethyl 2-methylsulfanyl-1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylate CAS Name: 2-(methylthio)-1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methylsulfanyl-1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylate Traditional Name: 2-(methylthio)-1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylic acid diethyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=N1)SC)CCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N1)SC)CCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H23N3O6S/c1-4-27-17(23)15-16(18(24)28-5-2)21(19(20-15)29-3)12-6-7-13-8-10-14(11-9-13)22(25)26/h8-11H,4-7,12H2,1-3H3