3-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C19H19N3O3S/c1-10-11(2)16(9-20)18(21-12(10)3)26-13(4)17(23)22-15-7-5-6-14(8-15)19(24)25/h5-8,13H,1-4H3,(H,22,23)(H,24,25)