ethyl (6R)-7-(5-methyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)-7-oxidanylidene-6-thiocyanato-heptanoate

Systemtic Name: ethyl (6R)-7-(5-methyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)-7-oxidanylidene-6-thiocyanato-heptanoate Openeye Name: ethyl (6R)-7-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-7-oxo-6-thiocyanato-heptanoate CAS Name: (6R)-7-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-7-oxo-6-thiocyanatoheptanoic acid ethyl ester IUPAC Name: ethyl (6R)-7-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-7-oxo-6-thiocyanatoheptanoate Traditional Name: (6R)-7-keto-7-(2-keto-5-methyl-4-imidazolin-4-yl)-6-thiocyanato-enanthic acid ethyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CCCC[C@H](C(=O)C1=C(NC(=O)N1)C)SC#N

InChI

InChI=1S/C14H19N3O4S/c1-3-21-11(18)7-5-4-6-10(22-8-15)13(19)12-9(2)16-14(20)17-12/h10H,3-7H2,1-2H3,(H2,16,17,20)/t10-/m1/s1