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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[(4-keto-3-piperonyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetic acid Formula: C16H12N2O5S2 MolecularWeight: 376.40688

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC(=O)O

InChI

InChI=1S/C16H12N2O5S2/c19-13(20)7-25-16-17-10-3-4-24-14(10)15(21)18(16)6-9-1-2-11-12(5-9)23-8-22-11/h1-5H,6-8H2,(H,19,20)