dimethyl 5-[(E)-3-phenylprop-2-enoyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate

Systemtic Name: dimethyl 5-[(E)-3-phenylprop-2-enoyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-[(E)-3-phenylprop-2-enoyl]-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-[(E)-1-oxo-3-phenylprop-2-enyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(E)-3-phenylprop-2-enoyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 5-[(E)-3-phenylacryloyl]-2-thioxo-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NC(=S)N1)C(=O)OC)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C(=NC(=S)N1)C(=O)OC)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H14N2O5S/c1-23-15(21)13-12(14(16(22)24-2)19-17(25)18-13)11(20)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19,25)/b9-8+