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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C21H14N2O5S/c24-19-18-14(12-4-2-1-3-5-12)10-29-20(18)23-17(22-19)9-26-21(25)13-6-7-15-16(8-13)28-11-27-15/h1-8,10H,9,11H2,(H,22,23,24)