3-(2-pyridin-4-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3-(2-pyridin-4-ylsulfanylethanoylamino)benzoic acid Openeye Name: 3-[[2-(4-pyridylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[(2-pyridin-4-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-[[2-(4-pyridylthio)acetyl]amino]benzoic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=CC=NC=C2)C(=O)O

InChI

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