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

Systemtic Name: ethyl 4-[3-ethoxy-4-(phenylcarbonyloxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-benzoyloxy-3-ethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-benzoyloxy-3-ethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoyloxy-3-ethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-benzoyloxy-3-ethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S/c1-3-33-22-17-20(15-16-21(22)35-26(31)19-13-9-6-10-14-19)25-23(27(32)34-4-2)24(29-28(36)30-25)18-11-7-5-8-12-18/h5-17,25H,3-4H2,1-2H3,(H2,29,30,36)