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

Systemtic Name: methyl (6S)-3-(3-bromophenyl)-6-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(3-bromophenyl)-6-(3-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-bromophenyl)-6-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(3-bromophenyl)-6-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-bromophenyl)-6-(3-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3S/c1-12-17(19(24)26-3)18(13-6-4-9-16(10-13)25-2)22-20(27)23(12)15-8-5-7-14(21)11-15/h4-11,18H,1-3H3,(H,22,27)/t18-/m0/s1