(2S)-2-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoate

Systemtic Name: (2S)-2-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoate Openeye Name: (2S)-2-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoate CAS Name: (2S)-2-[(1,4,5-trimethyl-2-imidazolyl)thio]propanoate IUPAC Name: (2S)-2-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoate Traditional Name: (2S)-2-[(1,4,5-trimethylimidazol-2-yl)thio]propionate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(N(C(=N1)S[C@@H](C)C(=O)[O-])C)C

InChI

InChI=1S/C9H14N2O2S/c1-5-6(2)11(4)9(10-5)14-7(3)8(12)13/h7H,1-4H3,(H,12,13)/p-1/t7-/m0/s1