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

Systemtic Name: propyl 8-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-5-26-21(24)15-7-16-10-25-12-27-19(16)17(8-15)11-28-20-18(9-22)13(2)6-14(3)23-20/h6-8H,4-5,10-12H2,1-3H3