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

Systemtic Name: propan-2-yl 6-methyl-4-[4-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-(4-benzoyloxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-benzoyloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-benzoyloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-benzoyloxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-13(2)27-21(26)18-14(3)23-22(29)24-19(18)15-9-11-17(12-10-15)28-20(25)16-7-5-4-6-8-16/h4-13,19H,1-3H3,(H2,23,24,29)