2-(4-fluoranylphenoxy)ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-(4-fluorophenoxy)ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid 2-(4-fluorophenoxy)ethyl ester IUPAC Name: 2-(4-fluorophenoxy)ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinic acid 2-(4-fluorophenoxy)ethyl ester Formula: C23H19FN2O6S MolecularWeight: 470.470163

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)OCCOC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)OCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C23H19FN2O6S/c24-15-3-6-17(7-4-15)29-10-11-30-23(28)18-2-1-9-25-22(18)33-13-21(27)26-16-5-8-19-20(12-16)32-14-31-19/h1-9,12H,10-11,13-14H2,(H,26,27)