(2S)-2-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(1-methyl-4-pyrazolyl)methylthio]propanoate IUPAC Name: (2S)-2-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(1-methylpyrazol-4-yl)methylthio]propionate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=CN(N=C1)C

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC1=CN(N=C1)C

InChI

InChI=1S/C8H12N2O2S/c1-6(8(11)12)13-5-7-3-9-10(2)4-7/h3-4,6H,5H2,1-2H3,(H,11,12)/p-1/t6-/m0/s1