ethyl 2-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpentanoate

Systemtic Name: ethyl 2-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpentanoate Openeye Name: ethyl 2-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpentanoate CAS Name: 2-[[1-(2-cyanoethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpentanoate Traditional Name: 2-[[1-(2-cyanoethyl)-5-methylol-imidazol-2-yl]thio]valeric acid ethyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NC=C(N1CCC#N)CO

Isomeric SMILES

CCCC(C(=O)OCC)SC1=NC=C(N1CCC#N)CO

InChI

InChI=1S/C14H21N3O3S/c1-3-6-12(13(19)20-4-2)21-14-16-9-11(10-18)17(14)8-5-7-15/h9,12,18H,3-6,8,10H2,1-2H3