3-(2-pyridin-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3-(2-pyridin-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 3-[[2-(2-pyridylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-[[2-(2-pyridylthio)acetyl]amino]benzoic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H12N2O3S/c17-12(9-20-13-6-1-2-7-15-13)16-11-5-3-4-10(8-11)14(18)19/h1-8H,9H2,(H,16,17)(H,18,19)