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

Systemtic Name: methyl 8-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: methyl 8-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid methyl ester IUPAC Name: methyl 8-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC2=CC(=CC3=C2OCOC3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC2=CC(=CC3=C2OCOC3)C(=O)OC

InChI

InChI=1S/C17H18N2O4S/c1-10-4-15(19-11(2)18-10)24-8-14-6-12(17(20)21-3)5-13-7-22-9-23-16(13)14/h4-6H,7-9H2,1-3H3