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

Systemtic Name: 8-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C16H15N2O4S- MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=CC3=C2OCOC3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=CC3=C2OCOC3)C(=O)[O-])C

InChI

InChI=1S/C16H16N2O4S/c1-9-3-10(2)18-16(17-9)23-7-13-5-11(15(19)20)4-12-6-21-8-22-14(12)13/h3-5H,6-8H2,1-2H3,(H,19,20)/p-1