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

Systemtic Name: 3-[2-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(3-cyano-6-isopropyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-11(2)15-7-6-13(9-19)17(21-15)25-10-16(22)20-14-5-3-4-12(8-14)18(23)24/h3-8,11H,10H2,1-2H3,(H,20,22)(H,23,24)