(2-benzamido-2-oxidanylidene-ethyl) 2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2,2,2-trifluoroethylthio)-3-pyridinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2,2,2-trifluoroethylthio)nicotinic acid (2-benzamido-2-keto-ethyl) ester Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SCC(F)(F)F

InChI

InChI=1S/C17H13F3N2O4S/c18-17(19,20)10-27-15-12(7-4-8-21-15)16(25)26-9-13(23)22-14(24)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,22,23,24)