methyl 3-ethylsulfanyl-3-imidazol-1-yl-butanoate

Systemtic Name: methyl 3-ethylsulfanyl-3-imidazol-1-yl-butanoate Openeye Name: methyl 3-ethylsulfanyl-3-imidazol-1-yl-butanoate CAS Name: 3-(ethylthio)-3-(1-imidazolyl)butanoic acid methyl ester IUPAC Name: methyl 3-ethylsulfanyl-3-imidazol-1-ylbutanoate Traditional Name: 3-(ethylthio)-3-imidazol-1-yl-butyric acid methyl ester Formula: C10H16N2O2S MolecularWeight: 228.31124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(CC(=O)OC)N1C=CN=C1

Isomeric SMILES

CCSC(C)(CC(=O)OC)N1C=CN=C1

InChI

InChI=1S/C10H16N2O2S/c1-4-15-10(2,7-9(13)14-3)12-6-5-11-8-12/h5-6,8H,4,7H2,1-3H3