[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3,4,5-tris(chloranyl)pyridine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3,4,5-tris(chloranyl)pyridine-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3,4,5-trichloropyridine-2-carboxylate CAS Name: 3,4,5-trichloro-2-pyridinecarboxylic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3,4,5-trichloropyridine-2-carboxylate Traditional Name: 3,4,5-trichloropicolinic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C17H13Cl3N2O4S MolecularWeight: 447.72012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=NC=C(C(=C2Cl)Cl)Cl

InChI

InChI=1S/C17H13Cl3N2O4S/c18-11-8-21-16(15(20)14(11)19)17(25)26-9-13(24)22-12(23)6-7-27-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,22,23,24)