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

Systemtic Name: 3-[3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[3-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[3-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[3-[(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)SCCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-12(2)16-7-6-14(11-20)18(22-16)26-9-8-17(23)21-15-5-3-4-13(10-15)19(24)25/h3-7,10,12H,8-9H2,1-2H3,(H,21,23)(H,24,25)