[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H15NO5S/c23-17(14-8-9-18-19(11-14)27-13-26-18)12-25-21(24)16-7-4-10-22-20(16)28-15-5-2-1-3-6-15/h1-11H,12-13H2