ethyl 6-(5-methyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)-6-oxidanylidene-5-thiocyanato-hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(C(=O)C1=C(NC(=O)N1)C)SC#N

Isomeric SMILES

CCOC(=O)CCCC(C(=O)C1=C(NC(=O)N1)C)SC#N

InChI

InChI=1S/C13H17N3O4S/c1-3-20-10(17)6-4-5-9(21-7-14)12(18)11-8(2)15-13(19)16-11/h9H,3-6H2,1-2H3,(H2,15,16,19)