(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C16H14BrNO4S MolecularWeight: 396.25566

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H14BrNO4S/c1-23-15-11(3-2-4-18-15)16(19)22-9-10-7-13-14(8-12(10)17)21-6-5-20-13/h2-4,7-8H,5-6,9H2,1H3