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

Systemtic Name: bis(phenylmethyl) 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylate Openeye Name: dibenzyl 2-thioxo-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylate CAS Name: 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylate Traditional Name: 2-thioxo-3,4-dihydro-1H-pyrimidine-5,6-dicarboxylic acid dibenzyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(NC(=S)N1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(=C(NC(=S)N1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c23-18(25-12-14-7-3-1-4-8-14)16-11-21-20(27)22-17(16)19(24)26-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,21,22,27)