2-(1-tert-butyl-3-thiophen-2-yl-pyrazol-4-yl)ethanoic acid

Systemtic Name: 2-(1-tert-butyl-3-thiophen-2-yl-pyrazol-4-yl)ethanoic acid Openeye Name: 2-[1-tert-butyl-3-(2-thienyl)pyrazol-4-yl]acetic acid CAS Name: 2-(1-tert-butyl-3-thiophen-2-yl-4-pyrazolyl)acetic acid IUPAC Name: 2-(1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)acetic acid Traditional Name: 2-[1-tert-butyl-3-(2-thienyl)pyrazol-4-yl]acetic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=CS2)CC(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=CS2)CC(=O)O

InChI

InChI=1S/C13H16N2O2S/c1-13(2,3)15-8-9(7-11(16)17)12(14-15)10-5-4-6-18-10/h4-6,8H,7H2,1-3H3,(H,16,17)