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

Systemtic Name: ethyl 4-[3-bromanyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methoxy-phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-bromo-4-(2-ethoxy-2-oxo-ethoxy)-5-methoxy-phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-bromo-4-(2-ethoxy-2-keto-ethoxy)-5-methoxy-phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27BrN2O6S MolecularWeight: 515.41788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Br)OCC(=O)OCC)OC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Br)OCC(=O)OCC)OC)C(=O)OCC

InChI

InChI=1S/C21H27BrN2O6S/c1-5-8-14-17(20(26)29-7-3)18(24-21(31)23-14)12-9-13(22)19(15(10-12)27-4)30-11-16(25)28-6-2/h9-10,18H,5-8,11H2,1-4H3,(H2,23,24,31)