4-(2-pyridin-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4-(2-pyridin-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 4-[[2-(2-pyridylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]benzoic acid IUPAC Name: 4-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-[[2-(2-pyridylthio)acetyl]amino]benzoic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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