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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13NO5S/c1-23-15-11(3-2-6-17-15)16(19)20-8-12(18)10-4-5-13-14(7-10)22-9-21-13/h2-7H,8-9H2,1H3