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

Systemtic Name: 4-[2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-cyano-6-isobutyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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