1,3-benzodioxol-5-yl 2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2,2,2-trifluoroethylthio)-3-pyridinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2,2,2-trifluoroethylthio)nicotinic acid 1,3-benzodioxol-5-yl ester Formula: C15H10F3NO4S MolecularWeight: 357.30441

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=C(N=CC=C3)SCC(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=C(N=CC=C3)SCC(F)(F)F

InChI

InChI=1S/C15H10F3NO4S/c16-15(17,18)7-24-13-10(2-1-5-19-13)14(20)23-9-3-4-11-12(6-9)22-8-21-11/h1-6H,7-8H2