diethyl 1-hexyl-3-methylsulfanyl-2H-imidazole-4,5-dicarboxylate

Systemtic Name: diethyl 1-hexyl-3-methylsulfanyl-2H-imidazole-4,5-dicarboxylate Openeye Name: diethyl 1-hexyl-3-methylsulfanyl-2H-imidazole-4,5-dicarboxylate CAS Name: 1-hexyl-3-(methylthio)-2H-imidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-hexyl-3-methylsulfanyl-2H-imidazole-4,5-dicarboxylate Traditional Name: 1-hexyl-3-(methylthio)-4-imidazoline-4,5-dicarboxylic acid diethyl ester Formula: C16H28N2O4S MolecularWeight: 344.46952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CN(C(=C1C(=O)OCC)C(=O)OCC)SC

Isomeric SMILES

CCCCCCN1CN(C(=C1C(=O)OCC)C(=O)OCC)SC

InChI

InChI=1S/C16H28N2O4S/c1-5-8-9-10-11-17-12-18(23-4)14(16(20)22-7-3)13(17)15(19)21-6-2/h5-12H2,1-4H3