3-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-(3-cyano-6-propylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(3-cyano-6-propyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H19N3O3S/c1-3-5-15-9-8-14(11-20)18(22-15)26-12(2)17(23)21-16-7-4-6-13(10-16)19(24)25/h4,6-10,12H,3,5H2,1-2H3,(H,21,23)(H,24,25)