(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H10N2O5S MolecularWeight: 330.3153

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C15H10N2O5S/c18-14-13-9(3-4-23-13)16-12(17-14)6-20-15(19)8-1-2-10-11(5-8)22-7-21-10/h1-5H,6-7H2,(H,16,17,18)