5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C

InChI

InChI=1S/C17H15N3O4S/c1-9-5-10(2)19-16(13(9)7-18)25-8-15(22)20-11-3-4-14(21)12(6-11)17(23)24/h3-6,21H,8H2,1-2H3,(H,20,22)(H,23,24)