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

Systemtic Name: methyl (6S)-3-(3-bromophenyl)-6-(2,3-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(3-bromophenyl)-6-(2,3-dimethoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-bromophenyl)-6-(2,3-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(3-bromophenyl)-6-(2,3-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-bromophenyl)-6-(2,3-dimethoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4S/c1-12-17(20(25)28-4)18(15-9-6-10-16(26-2)19(15)27-3)23-21(29)24(12)14-8-5-7-13(22)11-14/h5-11,18H,1-4H3,(H,23,29)/t18-/m0/s1