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

Systemtic Name: 3-(1-tert-butyl-3-thiophen-2-yl-pyrazol-4-yl)propanoic acid Openeye Name: 3-[1-tert-butyl-3-(2-thienyl)pyrazol-4-yl]propanoic acid CAS Name: 3-(1-tert-butyl-3-thiophen-2-yl-4-pyrazolyl)propanoic acid IUPAC Name: 3-(1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)propanoic acid Traditional Name: 3-[1-tert-butyl-3-(2-thienyl)pyrazol-4-yl]propionic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c1-14(2,3)16-9-10(6-7-12(17)18)13(15-16)11-5-4-8-19-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)