5-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoate Openeye Name: 5-[[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]amino]-2-hydroxy-benzoate CAS Name: 5-[[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoate Traditional Name: 5-[[2-[(3-cyano-6-methyl-2-pyridyl)thio]acetyl]amino]-2-hydroxy-benzoate Formula: C16H12N3O4S- MolecularWeight: 342.34918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-9-2-3-10(7-17)15(18-9)24-8-14(21)19-11-4-5-13(20)12(6-11)16(22)23/h2-6,20H,8H2,1H3,(H,19,21)(H,22,23)/p-1