ethyl (4R)-4-(5-bromanyl-2-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(5-bromanyl-2-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(5-bromo-2-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(5-bromo-2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(5-bromo-2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(5-bromo-2-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3S/c1-4-21-14(19)12-8(2)17-15(22)18-13(12)10-7-9(16)5-6-11(10)20-3/h5-7,13H,4H2,1-3H3,(H2,17,18,22)/t13-/m1/s1