2-chloranyl-5-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(3-cyano-6-methyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H12ClN3O3S/c1-9-2-3-10(7-18)15(19-9)24-8-14(21)20-11-4-5-13(17)12(6-11)16(22)23/h2-6H,8H2,1H3,(H,20,21)(H,22,23)