methyl 5-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-(2-cyanoethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[1-(2-cyanoethyl)-5-methylol-imidazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=C(N2CCC#N)CO

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=C(N2CCC#N)CO

InChI

InChI=1S/C14H15N3O4S/c1-20-13(19)12-4-3-11(21-12)9-22-14-16-7-10(8-18)17(14)6-2-5-15/h3-4,7,18H,2,6,8-9H2,1H3