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2-(1-pentan-3-ylimidazol-2-yl)sulfanylethanoate

2-(1-pentan-3-ylimidazol-2-yl)sulfanylethanoate

Systemtic Name:2-(1-pentan-3-ylimidazol-2-yl)sulfanylethanoate
Openeye Name:2-[1-(1-ethylpropyl)imidazol-2-yl]sulfanylacetate
CAS Name:2-[(1-pentan-3-yl-2-imidazolyl)thio]acetate
IUPAC Name:2-(1-pentan-3-ylimidazol-2-yl)sulfanylacetate
Traditional Name:2-[[1-(1-ethylpropyl)imidazol-2-yl]thio]acetate
Formula: C10H15N2O2S-
MolecularWeight: 227.3033
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=CN=C1SCC(=O)[O-]


Isomeric SMILES

CCC(CC)N1C=CN=C1SCC(=O)[O-]


InChI

InChI=1S/C10H16N2O2S/c1-3-8(4-2)12-6-5-11-10(12)15-7-9(13)14/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)/p-1


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