(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C16H14ClNO4S/c1-23-15-13(3-2-4-18-15)16(19)21-8-11-6-12(17)5-10-7-20-9-22-14(10)11/h2-6H,7-9H2,1H3