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

Systemtic Name: 4-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid Openeye Name: 4-[3-(2-pyridylsulfanyl)propanoylamino]benzoic acid CAS Name: 4-[[1-oxo-3-(2-pyridinylthio)propyl]amino]benzoic acid IUPAC Name: 4-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid Traditional Name: 4-[3-(2-pyridylthio)propanoylamino]benzoic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c18-13(8-10-21-14-3-1-2-9-16-14)17-12-6-4-11(5-7-12)15(19)20/h1-7,9H,8,10H2,(H,17,18)(H,19,20)