ethyl 6-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C3C(=CC(=C2)Cl)COCO3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C3C(=CC(=C2)Cl)COCO3)C

InChI

InChI=1S/C19H17ClN2O4S/c1-3-25-19(23)16-6-12(7-21)18(22-11(16)2)27-9-14-5-15(20)4-13-8-24-10-26-17(13)14/h4-6H,3,8-10H2,1-2H3