methyl 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoate

Systemtic Name: methyl 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoate Openeye Name: methyl 2-[5-(hydroxymethyl)-1-isobutyl-imidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[5-(hydroxymethyl)-1-(2-methylpropyl)-2-imidazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[(1-isobutyl-5-methylol-imidazol-2-yl)thio]propionic acid methyl ester Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1SC(C)C(=O)OC)CO

Isomeric SMILES

CC(C)CN1C(=CN=C1SC(C)C(=O)OC)CO

InChI

InChI=1S/C12H20N2O3S/c1-8(2)6-14-10(7-15)5-13-12(14)18-9(3)11(16)17-4/h5,8-9,15H,6-7H2,1-4H3