5-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(3-cyano-6-propylpyridin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(3-cyano-6-propyl-2-pyridyl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-2-3-12-5-4-11(9-19)17(21-12)26-10-16(23)20-13-6-7-15(22)14(8-13)18(24)25/h4-8,22H,2-3,10H2,1H3,(H,20,23)(H,24,25)