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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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