(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-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 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C16H12N2O5S/c19-15-14-10(3-6-24-14)17-13(18-15)8-23-16(20)9-1-2-11-12(7-9)22-5-4-21-11/h1-3,6-7H,4-5,8H2,(H,17,18,19)