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

Systemtic Name: (phenylmethyl) 4-[3-methoxy-4-(phenylcarbonyloxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(4-benzoyloxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-benzoyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-benzoyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-benzoyloxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5S/c1-17-23(26(31)33-16-18-9-5-3-6-10-18)24(29-27(35)28-17)20-13-14-21(22(15-20)32-2)34-25(30)19-11-7-4-8-12-19/h3-15,24H,16H2,1-2H3,(H2,28,29,35)