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

Systemtic Name: 4-chloranyl-3-(2-pyridin-4-ylsulfanylethanoylamino)benzoic acid Openeye Name: 4-chloro-3-[[2-(4-pyridylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(2-pyridin-4-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(4-pyridylthio)acetyl]amino]benzoic acid Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CSC2=CC=NC=C2)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CSC2=CC=NC=C2)Cl

InChI

InChI=1S/C14H11ClN2O3S/c15-11-2-1-9(14(19)20)7-12(11)17-13(18)8-21-10-3-5-16-6-4-10/h1-7H,8H2,(H,17,18)(H,19,20)