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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC(=CC3=C2OCOC3)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC(=CC3=C2OCOC3)C(=O)OC(C)C)C

InChI

InChI=1S/C21H22N2O4S/c1-12(2)27-21(24)15-6-16-9-25-11-26-19(16)17(7-15)10-28-20-18(8-22)13(3)5-14(4)23-20/h5-7,12H,9-11H2,1-4H3