5-chloranyl-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid Openeye Name: 5-chloro-2-[3-(2-pyridylsulfanyl)propanoylamino]benzoic acid CAS Name: 5-chloro-2-[[1-oxo-3-(2-pyridinylthio)propyl]amino]benzoic acid IUPAC Name: 5-chloro-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid Traditional Name: 5-chloro-2-[3-(2-pyridylthio)propanoylamino]benzoic acid Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SCCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C15H13ClN2O3S/c16-10-4-5-12(11(9-10)15(20)21)18-13(19)6-8-22-14-3-1-2-7-17-14/h1-5,7,9H,6,8H2,(H,18,19)(H,20,21)