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

Systemtic Name: ethyl 4-[2-bromanyl-5-methoxy-4-(phenylcarbonyloxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-benzoyloxy-2-bromo-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-benzoyloxy-2-bromo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoyloxy-2-bromo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-benzoyloxy-2-bromo-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21BrN2O5S MolecularWeight: 505.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2Br)OC(=O)C3=CC=CC=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2Br)OC(=O)C3=CC=CC=C3)OC)C

InChI

InChI=1S/C22H21BrN2O5S/c1-4-29-21(27)18-12(2)24-22(31)25-19(18)14-10-16(28-3)17(11-15(14)23)30-20(26)13-8-6-5-7-9-13/h5-11,19H,4H2,1-3H3,(H2,24,25,31)