tert-butyl 4-ethyl-5-ethylsulfanyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 4-ethyl-5-ethylsulfanyl-imidazole-4-carboxylate Openeye Name: tert-butyl 4-ethyl-5-ethylsulfanyl-imidazole-4-carboxylate CAS Name: 4-ethyl-5-(ethylthio)-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-ethyl-5-ethylsulfanylimidazole-4-carboxylate Traditional Name: 4-ethyl-5-(ethylthio)imidazole-4-carboxylic acid tert-butyl ester Formula: C12H20N2O2S MolecularWeight: 256.3644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=NC=N1)SCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1(C(=NC=N1)SCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H20N2O2S/c1-6-12(10(15)16-11(3,4)5)9(17-7-2)13-8-14-12/h8H,6-7H2,1-5H3