2-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 2-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoic acid CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoic acid IUPAC Name: 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 2-[[2-(2-pyrimidylthio)acetyl]amino]benzoic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C13H11N3O3S/c17-11(8-20-13-14-6-3-7-15-13)16-10-5-2-1-4-9(10)12(18)19/h1-7H,8H2,(H,16,17)(H,18,19)