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

Systemtic Name: 2-methoxyethyl (6S)-3-(3-bromophenyl)-6-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3-(3-bromophenyl)-6-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-bromophenyl)-6-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-3-(3-bromophenyl)-6-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-bromophenyl)-6-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CC=CC=C3OC)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC(=CC=C2)Br)C3=CC=CC=C3OC)C(=O)OCCOC

InChI

InChI=1S/C22H23BrN2O4S/c1-14-19(21(26)29-12-11-27-2)20(17-9-4-5-10-18(17)28-3)24-22(30)25(14)16-8-6-7-15(23)13-16/h4-10,13,20H,11-12H2,1-3H3,(H,24,30)/t20-/m0/s1