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

Systemtic Name: 2-oxidanyl-4-(2-pyridin-4-ylsulfanylethanoylamino)benzoic acid Openeye Name: 2-hydroxy-4-[[2-(4-pyridylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[(2-pyridin-4-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 2-hydroxy-4-[[2-(4-pyridylthio)acetyl]amino]benzoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=CC=NC=C2)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=CC=NC=C2)O)C(=O)O

InChI

InChI=1S/C14H12N2O4S/c17-12-7-9(1-2-11(12)14(19)20)16-13(18)8-21-10-3-5-15-6-4-10/h1-7,17H,8H2,(H,16,18)(H,19,20)