ethyl 5-(butylamino)-3-methyl-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 5-(butylamino)-3-methyl-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 5-(butylamino)-3-methyl-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 5-(butylamino)-3-methyl-2-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butylamino)-3-methyl-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 5-(butylamino)-3-methyl-2-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C12H21N3O2S MolecularWeight: 271.37904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(N(C(=N1)SC)C)C(=O)OCC

Isomeric SMILES

CCCCNC1=C(N(C(=N1)SC)C)C(=O)OCC

InChI

InChI=1S/C12H21N3O2S/c1-5-7-8-13-10-9(11(16)17-6-2)15(3)12(14-10)18-4/h13H,5-8H2,1-4H3