(2S)-3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-butanoate

Systemtic Name: (2S)-3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-butanoate Openeye Name: (2S)-3-methyl-2-(1-methylimidazol-2-yl)sulfanyl-butanoate CAS Name: (2S)-3-methyl-2-[(1-methyl-2-imidazolyl)thio]butanoate IUPAC Name: (2S)-3-methyl-2-(1-methylimidazol-2-yl)sulfanylbutanoate Traditional Name: (2S)-3-methyl-2-[(1-methylimidazol-2-yl)thio]butyrate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])SC1=NC=CN1C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])SC1=NC=CN1C

InChI

InChI=1S/C9H14N2O2S/c1-6(2)7(8(12)13)14-9-10-4-5-11(9)3/h4-7H,1-3H3,(H,12,13)/p-1/t7-/m0/s1