[2-(5-ethoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)thiophen-3-yl]boronic acid

Systemtic Name: [2-(5-ethoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)thiophen-3-yl]boronic acid Openeye Name: [2-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-3-thienyl]boronic acid CAS Name: [2-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-3-thiophenyl]boronic acid IUPAC Name: [2-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)thiophen-3-yl]boronic acid Traditional Name: [2-(5-carbethoxy-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl)-3-thienyl]boronic acid Formula: C12H15BN2O5S MolecularWeight: 310.1339

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(SC=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)(O)O

Isomeric SMILES

B(C1=C(SC=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)(O)O

InChI

InChI=1S/C12H15BN2O5S/c1-3-20-11(16)8-6(2)14-12(17)15-9(8)10-7(13(18)19)4-5-21-10/h4-5,9,18-19H,3H2,1-2H3,(H2,14,15,17)