diethyl 2-methylsulfanyl-1-(phenylmethyl)imidazole-4,5-dicarboxylate

Systemtic Name: diethyl 2-methylsulfanyl-1-(phenylmethyl)imidazole-4,5-dicarboxylate Openeye Name: diethyl 1-benzyl-2-methylsulfanyl-imidazole-4,5-dicarboxylate CAS Name: 2-(methylthio)-1-(phenylmethyl)imidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate Traditional Name: 1-benzyl-2-(methylthio)imidazole-4,5-dicarboxylic acid diethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=N1)SC)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N1)SC)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H20N2O4S/c1-4-22-15(20)13-14(16(21)23-5-2)19(17(18-13)24-3)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3