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

Systemtic Name: ethyl 2-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[1-(2-cyanoethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[1-(2-cyanoethyl)-5-methylol-imidazol-2-yl]thio]propionic acid ethyl ester Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC=C(N1CCC#N)CO

Isomeric SMILES

CCOC(=O)C(C)SC1=NC=C(N1CCC#N)CO

InChI

InChI=1S/C12H17N3O3S/c1-3-18-11(17)9(2)19-12-14-7-10(8-16)15(12)6-4-5-13/h7,9,16H,3-4,6,8H2,1-2H3