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

Systemtic Name: 2-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-cyano-6-propylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-[[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=CC=C2C(=O)O

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=CC=C2C(=O)O

InChI

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