4-[3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[3-[(3-cyano-6-isobutyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H21N3O3S/c1-13(2)11-17-8-5-15(12-21)19(23-17)27-10-9-18(24)22-16-6-3-14(4-7-16)20(25)26/h3-8,13H,9-11H2,1-2H3,(H,22,24)(H,25,26)