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

Systemtic Name: 4-chloranyl-3-[2-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[(3-cyano-6-isopropyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O3S/c1-10(2)15-7-5-13(9-21)18(23-15)27-11(3)17(24)22-16-8-12(19(25)26)4-6-14(16)20/h4-8,10-11H,1-3H3,(H,22,24)(H,25,26)