3-[(2-methylpyrazol-3-yl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(2-methylpyrazol-3-yl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(2-methylpyrazol-3-yl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(2-methyl-3-pyrazolyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(2-methylpyrazol-3-yl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(2-methylpyrazol-3-yl)methylamino]-3-(2-thienyl)propionic acid Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CN1C(=CC=N1)CNC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C12H15N3O2S/c1-15-9(4-5-14-15)8-13-10(7-12(16)17)11-3-2-6-18-11/h2-6,10,13H,7-8H2,1H3,(H,16,17)