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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]nicotinic acid ethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

InChI

InChI=1S/C19H17N3O6S/c1-3-27-19(23)16-6-12(7-20)18(21-11(16)2)29-9-14-5-15(22(24)25)4-13-8-26-10-28-17(13)14/h4-6H,3,8-10H2,1-2H3