ethyl 4-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylbutanoate CAS Name: 4-[[1-(2-cyanoethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylbutanoate Traditional Name: 4-[[1-(2-cyanoethyl)-5-methylol-imidazol-2-yl]thio]butyric acid ethyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC=C(N1CCC#N)CO

Isomeric SMILES

CCOC(=O)CCCSC1=NC=C(N1CCC#N)CO

InChI

InChI=1S/C13H19N3O3S/c1-2-19-12(18)5-3-8-20-13-15-9-11(10-17)16(13)7-4-6-14/h9,17H,2-5,7-8,10H2,1H3