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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S/c1-3-33-23-16-21(14-15-22(23)35-26(31)20-12-8-5-9-13-20)25-24(18(2)29-28(36)30-25)27(32)34-17-19-10-6-4-7-11-19/h4-16,25H,3,17H2,1-2H3,(H2,29,30,36)