(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

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