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

Systemtic Name: ethyl 4-(2-bromanyl-5-methoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-bromo-5-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-bromo-5-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-5-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-bromo-5-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3S/c1-3-26-19(24)16-17(12-7-5-4-6-8-12)22-20(27)23-18(16)14-11-13(25-2)9-10-15(14)21/h4-11,18H,3H2,1-2H3,(H2,22,23,27)