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

Systemtic Name: ethyl 6-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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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)OCCCO3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC3=C(C(=C2)Cl)OCCCO3)C

InChI

InChI=1S/C20H19ClN2O4S/c1-3-25-20(24)15-9-14(10-22)19(23-12(15)2)28-11-13-7-16(21)18-17(8-13)26-5-4-6-27-18/h7-9H,3-6,11H2,1-2H3