2-phenylsulfanylethyl (4S)-4-(2-bromanyl-3,6-dimethoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-phenylsulfanylethyl (4S)-4-(2-bromanyl-3,6-dimethoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-phenylsulfanylethyl (4S)-4-(2-bromo-3,6-dimethoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-bromo-3,6-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl (4S)-4-(2-bromo-3,6-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-bromo-3,6-dimethoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(phenylthio)ethyl ester Formula: C22H23BrN2O5S MolecularWeight: 507.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2Br)OC)OC)C(=O)OCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=C(C=CC(=C2Br)OC)OC)C(=O)OCCSC3=CC=CC=C3

InChI

InChI=1S/C22H23BrN2O5S/c1-13-17(21(26)30-11-12-31-14-7-5-4-6-8-14)20(25-22(27)24-13)18-15(28-2)9-10-16(29-3)19(18)23/h4-10,20H,11-12H2,1-3H3,(H2,24,25,27)/t20-/m0/s1