(E)-2-(1-methylimidazol-2-yl)sulfanylhex-2-enoic acid

Systemtic Name: (E)-2-(1-methylimidazol-2-yl)sulfanylhex-2-enoic acid Openeye Name: (E)-2-(1-methylimidazol-2-yl)sulfanylhex-2-enoic acid CAS Name: (E)-2-[(1-methyl-2-imidazolyl)thio]-2-hexenoic acid IUPAC Name: (E)-2-(1-methylimidazol-2-yl)sulfanylhex-2-enoic acid Traditional Name: (E)-2-[(1-methylimidazol-2-yl)thio]hex-2-enoic acid Formula: C10H14N2O2S MolecularWeight: 226.29536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(C(=O)O)SC1=NC=CN1C

Isomeric SMILES

CCC/C=C(\C(=O)O)/SC1=NC=CN1C

InChI

InChI=1S/C10H14N2O2S/c1-3-4-5-8(9(13)14)15-10-11-6-7-12(10)2/h5-7H,3-4H2,1-2H3,(H,13,14)/b8-5+