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

Systemtic Name: ethyl 4-[5-(hydroxymethyl)-1-prop-2-ynyl-imidazol-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[5-(hydroxymethyl)-1-prop-2-ynyl-imidazol-2-yl]sulfanylbutanoate CAS Name: 4-[[5-(hydroxymethyl)-1-prop-2-ynyl-2-imidazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanylbutanoate Traditional Name: 4-[(5-methylol-1-propargyl-imidazol-2-yl)thio]butyric acid ethyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC=C(N1CC#C)CO

Isomeric SMILES

CCOC(=O)CCCSC1=NC=C(N1CC#C)CO

InChI

InChI=1S/C13H18N2O3S/c1-3-7-15-11(10-16)9-14-13(15)19-8-5-6-12(17)18-4-2/h1,9,16H,4-8,10H2,2H3