2-[3-[2-(4-oxidanylpyrazol-1-yl)-1,3-thiazol-5-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[2-(4-oxidanylpyrazol-1-yl)-1,3-thiazol-5-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[2-(4-hydroxypyrazol-1-yl)thiazol-5-yl]propanoylamino]benzoic acid CAS Name: 2-[[3-[2-(4-hydroxy-1-pyrazolyl)-5-thiazolyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[2-(4-hydroxypyrazol-1-yl)-1,3-thiazol-5-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[2-(4-hydroxypyrazol-1-yl)thiazol-5-yl]propanoylamino]benzoic acid Formula: C16H14N4O4S MolecularWeight: 358.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CN=C(S2)N3C=C(C=N3)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CN=C(S2)N3C=C(C=N3)O

InChI

InChI=1S/C16H14N4O4S/c21-10-7-18-20(9-10)16-17-8-11(25-16)5-6-14(22)19-13-4-2-1-3-12(13)15(23)24/h1-4,7-9,21H,5-6H2,(H,19,22)(H,23,24)