ethyl 6-phenyl-4-[3-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-phenyl-4-[3-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-benzoyloxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-benzoyloxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-benzoyloxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-benzoyloxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4S/c1-2-31-25(30)21-22(17-10-5-3-6-11-17)27-26(33)28-23(21)19-14-9-15-20(16-19)32-24(29)18-12-7-4-8-13-18/h3-16,23H,2H2,1H3,(H2,27,28,33)