ethyl 6-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC3=C(C(=C2)Cl)OCCO3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC3=C(C(=C2)Cl)OCCO3)C

InChI

InChI=1S/C19H17ClN2O4S/c1-3-24-19(23)14-8-13(9-21)18(22-11(14)2)27-10-12-6-15(20)17-16(7-12)25-4-5-26-17/h6-8H,3-5,10H2,1-2H3