ethyl 4-(5-bromanyl-2-prop-2-enoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(5-bromanyl-2-prop-2-enoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-allyloxy-5-bromo-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(5-bromo-2-prop-2-enoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-bromo-2-prop-2-enoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-allyloxy-5-bromo-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)Br)OCC=C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)Br)OCC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H21BrN2O3S/c1-3-12-28-17-11-10-15(23)13-16(17)20-18(21(26)27-4-2)19(24-22(29)25-20)14-8-6-5-7-9-14/h3,5-11,13,20H,1,4,12H2,2H3,(H2,24,25,29)