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

Systemtic Name: methyl 8-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-11-4-12(2)21-18(16(11)7-20)26-9-15-6-13(19(22)23-3)5-14-8-24-10-25-17(14)15/h4-6H,8-10H2,1-3H3