2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanylethanoic acid Openeye Name: 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanylacetic acid CAS Name: 2-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridazinyl]thio]acetic acid IUPAC Name: 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanylacetic acid Traditional Name: 2-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]thio]acetic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN=C(C=C3)SCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN=C(C=C3)SCC(=O)O

InChI

InChI=1S/C14H12N2O4S/c17-14(18)8-21-13-4-2-10(15-16-13)9-1-3-11-12(7-9)20-6-5-19-11/h1-4,7H,5-6,8H2,(H,17,18)