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

Systemtic Name: 2-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C21H15ClN2O4S MolecularWeight: 426.8728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O4S/c22-14-8-9-17(16(11-14)19(26)13-5-2-1-3-6-13)24-18(25)12-29-20-15(21(27)28)7-4-10-23-20/h1-11H,12H2,(H,24,25)(H,27,28)