ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-(thiocyanatomethyl)-1,3-dihydroimidazol-4-yl]hexanoate

Systemtic Name: ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-(thiocyanatomethyl)-1,3-dihydroimidazol-4-yl]hexanoate Openeye Name: ethyl 6-oxo-6-[2-oxo-5-(thiocyanatomethyl)-1,3-dihydroimidazol-4-yl]hexanoate CAS Name: 6-oxo-6-[2-oxo-5-(thiocyanatomethyl)-1,3-dihydroimidazol-4-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-oxo-6-[2-oxo-5-(thiocyanatomethyl)-1,3-dihydroimidazol-4-yl]hexanoate Traditional Name: 6-keto-6-[2-keto-5-(thiocyanatomethyl)-4-imidazolin-4-yl]hexanoic acid ethyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC#N

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC#N

InChI

InChI=1S/C13H17N3O4S/c1-2-20-11(18)6-4-3-5-10(17)12-9(7-21-8-14)15-13(19)16-12/h2-7H2,1H3,(H2,15,16,19)