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

Systemtic Name: 4-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-cyano-6-propylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-cyano-6-propyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-2-3-14-9-6-13(10-19)17(21-14)25-11-16(22)20-15-7-4-12(5-8-15)18(23)24/h4-9H,2-3,11H2,1H3,(H,20,22)(H,23,24)