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

Systemtic Name: ethyl 4-[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H23BrN2O4S/c1-4-28-21(26)19-13(2)24-22(30)25-20(19)14-5-10-18(27-3)15(11-14)12-29-17-8-6-16(23)7-9-17/h5-11,20H,4,12H2,1-3H3,(H2,24,25,30)