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

Systemtic Name: ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-(pyridin-2-ylsulfanylmethyl)-1,3-dihydroimidazol-4-yl]hexanoate Openeye Name: ethyl 6-oxo-6-[2-oxo-5-(2-pyridylsulfanylmethyl)-1,3-dihydroimidazol-4-yl]hexanoate CAS Name: 6-oxo-6-[2-oxo-5-[(2-pyridinylthio)methyl]-1,3-dihydroimidazol-4-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-oxo-6-[2-oxo-5-(pyridin-2-ylsulfanylmethyl)-1,3-dihydroimidazol-4-yl]hexanoate Traditional Name: 6-keto-6-[2-keto-5-[(2-pyridylthio)methyl]-4-imidazolin-4-yl]hexanoic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=CC=CC=N2

InChI

InChI=1S/C17H21N3O4S/c1-2-24-15(22)9-4-3-7-13(21)16-12(19-17(23)20-16)11-25-14-8-5-6-10-18-14/h5-6,8,10H,2-4,7,9,11H2,1H3,(H2,19,20,23)