O6-methyl O5-(phenylmethyl) 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylate

Systemtic Name: O6-methyl O5-(phenylmethyl) 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylate Openeye Name: O5-benzyl O6-methyl 2-thioxo-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylate CAS Name: 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylic acid O6-methyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 6-O-methyl 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylate Traditional Name: 2-thioxo-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylic acid O5-benzyl ester O6-methyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H14N2O4S/c1-19-13(18)11-10(7-15-14(21)16-11)12(17)20-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,15,16,21)