2-[2-[[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[4-bromo-2-(2-chlorobenzoyl)anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[4-bromo-2-[(2-chlorophenyl)-oxomethyl]anilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[4-bromo-2-(2-chlorobenzoyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[4-bromo-2-(2-chlorobenzoyl)anilino]-2-keto-ethyl]thio]nicotinic acid Formula: C21H14BrClN2O4S MolecularWeight: 505.76886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CSC3=C(C=CC=N3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CSC3=C(C=CC=N3)C(=O)O)Cl

InChI

InChI=1S/C21H14BrClN2O4S/c22-12-7-8-17(15(10-12)19(27)13-4-1-2-6-16(13)23)25-18(26)11-30-20-14(21(28)29)5-3-9-24-20/h1-10H,11H2,(H,25,26)(H,28,29)