2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]thio]acetic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)SCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)SCC(=O)O

InChI

InChI=1S/C13H10N2O4S/c16-12(17)6-20-13-14-4-3-9(15-13)8-1-2-10-11(5-8)19-7-18-10/h1-5H,6-7H2,(H,16,17)