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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O4S/c1-5-29-21(26)19-13(2)25(16-8-6-7-15(23)12-16)22(30)24-20(19)14-9-10-17(27-3)18(11-14)28-4/h6-12,20H,5H2,1-4H3,(H,24,30)/t20-/m0/s1