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

Systemtic Name: 3-(2-pyridin-2-ylsulfanylbutanoylamino)benzoic acid Openeye Name: 3-[2-(2-pyridylsulfanyl)butanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-(2-pyridinylthio)butyl]amino]benzoic acid IUPAC Name: 3-(2-pyridin-2-ylsulfanylbutanoylamino)benzoic acid Traditional Name: 3-[2-(2-pyridylthio)butanoylamino]benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-2-13(22-14-8-3-4-9-17-14)15(19)18-12-7-5-6-11(10-12)16(20)21/h3-10,13H,2H2,1H3,(H,18,19)(H,20,21)