2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(4-phenoxyanilino)ethyl]thio]nicotinic acid Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C20H16N2O4S/c23-18(13-27-19-17(20(24)25)7-4-12-21-19)22-14-8-10-16(11-9-14)26-15-5-2-1-3-6-15/h1-12H,13H2,(H,22,23)(H,24,25)