3-[(1-methylpyrazol-4-yl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(1-methylpyrazol-4-yl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(1-methylpyrazol-4-yl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(1-methyl-4-pyrazolyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(1-methylpyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(1-methylpyrazol-4-yl)methylamino]-3-(2-thienyl)propionic acid Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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