methyl (6S)-6-(3-bromanyl-4-fluoranyl-phenyl)-3-(2-methoxyethyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(3-bromanyl-4-fluoranyl-phenyl)-3-(2-methoxyethyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(3-bromo-4-fluoro-phenyl)-3-(2-methoxyethyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(3-bromo-4-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(3-bromo-4-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(3-bromo-4-fluoro-phenyl)-3-(2-methoxyethyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H18BrFN2O3S MolecularWeight: 417.293123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CCOC)C2=CC(=C(C=C2)F)Br)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1CCOC)C2=CC(=C(C=C2)F)Br)C(=O)OC

InChI

InChI=1S/C16H18BrFN2O3S/c1-9-13(15(21)23-3)14(10-4-5-12(18)11(17)8-10)19-16(24)20(9)6-7-22-2/h4-5,8,14H,6-7H2,1-3H3,(H,19,24)/t14-/m0/s1