4-[4-(thiophen-2-ylcarbonylamino)pyrazol-1-yl]butanoic acid

Systemtic Name: 4-[4-(thiophen-2-ylcarbonylamino)pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-(thiophene-2-carbonylamino)pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[oxo(thiophen-2-yl)methyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-(thiophene-2-carbonylamino)pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-(2-thenoylamino)pyrazol-1-yl]butyric acid Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CN(N=C2)CCCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CN(N=C2)CCCC(=O)O

InChI

InChI=1S/C12H13N3O3S/c16-11(17)4-1-5-15-8-9(7-13-15)14-12(18)10-3-2-6-19-10/h2-3,6-8H,1,4-5H2,(H,14,18)(H,16,17)