5-[6-(1,3-benzodioxol-5-yloxy)-2-methylsulfanyl-pyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid

Systemtic Name: 5-[6-(1,3-benzodioxol-5-yloxy)-2-methylsulfanyl-pyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid Openeye Name: 5-[6-(1,3-benzodioxol-5-yloxy)-2-methylsulfanyl-pyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid CAS Name: 5-[[6-(1,3-benzodioxol-5-yloxy)-2-(methylthio)-4-pyrimidinyl]oxy]-1,3-benzodioxole-4-carboxylic acid IUPAC Name: 5-[6-(1,3-benzodioxol-5-yloxy)-2-methylsulfanylpyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid Traditional Name: 5-[6-(1,3-benzodioxol-5-yloxy)-2-(methylthio)pyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid Formula: C20H14N2O8S MolecularWeight: 442.39876

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)OC2=C(C3=C(C=C2)OCO3)C(=O)O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=NC(=CC(=N1)OC2=C(C3=C(C=C2)OCO3)C(=O)O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H14N2O8S/c1-31-20-21-15(29-10-2-3-11-14(6-10)27-8-25-11)7-16(22-20)30-12-4-5-13-18(28-9-26-13)17(12)19(23)24/h2-7H,8-9H2,1H3,(H,23,24)