ethyl 2-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]thiazole-4-carboxylate CAS Name: 2-[[[1-(2-cyanoethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[[1-(2-cyanoethyl)-5-methylol-imidazol-2-yl]thio]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CSC2=NC=C(N2CCC#N)CO

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CSC2=NC=C(N2CCC#N)CO

InChI

InChI=1S/C14H16N4O3S2/c1-2-21-13(20)11-8-22-12(17-11)9-23-14-16-6-10(7-19)18(14)5-3-4-15/h6,8,19H,2-3,5,7,9H2,1H3