(2S)-2-azaniumyl-3-(1-methyl-3-thiophen-2-yl-pyrazol-4-yl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(1-methyl-3-thiophen-2-yl-pyrazol-4-yl)propanoate Openeye Name: (2S)-2-azaniumyl-3-[1-methyl-3-(2-thienyl)pyrazol-4-yl]propanoate CAS Name: (2S)-2-ammonio-3-(1-methyl-3-thiophen-2-yl-4-pyrazolyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)propanoate Traditional Name: (2S)-2-ammonio-3-[1-methyl-3-(2-thienyl)pyrazol-4-yl]propionate Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CS2)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CS2)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H13N3O2S/c1-14-6-7(5-8(12)11(15)16)10(13-14)9-3-2-4-17-9/h2-4,6,8H,5,12H2,1H3,(H,15,16)/t8-/m0/s1