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

Systemtic Name: 2-methoxyethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(2-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(o-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-bromophenyl)-4-methyl-6-(2-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(2-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-bromophenyl)-4-methyl-6-(o-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(N(C(=S)N2)C3=CC(=CC=C3)Br)C)C(=O)OCCOC

Isomeric SMILES

CC1=CC=CC=C1[C@H]2C(=C(N(C(=S)N2)C3=CC(=CC=C3)Br)C)C(=O)OCCOC

InChI

InChI=1S/C22H23BrN2O3S/c1-14-7-4-5-10-18(14)20-19(21(26)28-12-11-27-3)15(2)25(22(29)24-20)17-9-6-8-16(23)13-17/h4-10,13,20H,11-12H2,1-3H3,(H,24,29)/t20-/m0/s1