2-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C14H10ClFN2O3S MolecularWeight: 340.757203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C14H10ClFN2O3S/c15-10-6-8(3-4-11(10)16)18-12(19)7-22-13-9(14(20)21)2-1-5-17-13/h1-6H,7H2,(H,18,19)(H,20,21)