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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC=N2

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC=N2

InChI

InChI=1S/C15H14N2O3S/c1-10(21-13-7-2-3-8-16-13)14(18)17-12-6-4-5-11(9-12)15(19)20/h2-10H,1H3,(H,17,18)(H,19,20)