6-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]thio]nicotinic acid Formula: C15H11F3N2O4S MolecularWeight: 372.31905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)OC(F)(F)F

InChI

InChI=1S/C15H11F3N2O4S/c16-15(17,18)24-11-4-2-10(3-5-11)20-12(21)8-25-13-6-1-9(7-19-13)14(22)23/h1-7H,8H2,(H,20,21)(H,22,23)