ethyl (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H22BrN3O3S MolecularWeight: 488.39738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC=C(C=C2)NC(=O)C)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C22H22BrN3O3S/c1-4-29-21(28)19-13(2)26(18-7-5-6-16(23)12-18)22(30)25-20(19)15-8-10-17(11-9-15)24-14(3)27/h5-12,20H,4H2,1-3H3,(H,24,27)(H,25,30)/t20-/m0/s1