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

Systemtic Name: ethyl 4-[2,3-bis(bromanyl)-5-ethoxy-4-methoxy-phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,3-dibromo-5-ethoxy-4-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,3-dibromo-5-ethoxy-4-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22Br2N2O4S MolecularWeight: 570.29408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC)Br)Br)OC

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC)Br)Br)OC

InChI

InChI=1S/C22H22Br2N2O4S/c1-4-29-14-11-13(16(23)17(24)20(14)28-3)19-15(21(27)30-5-2)18(25-22(31)26-19)12-9-7-6-8-10-12/h6-11,19H,4-5H2,1-3H3,(H2,25,26,31)