ethyl 8-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=C(C(=CC(=N3)C)C)C#N)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=C(C(=CC(=N3)C)C)C#N)OCOC2

InChI

InChI=1S/C20H20N2O4S/c1-4-25-20(23)14-6-15-9-24-11-26-18(15)16(7-14)10-27-19-17(8-21)12(2)5-13(3)22-19/h5-7H,4,9-11H2,1-3H3