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

Systemtic Name: ethyl (4R)-4-(5-bromanyl-2-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(5-bromo-2-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(5-bromo-2-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(5-bromo-2-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(5-bromo-2-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O3S/c1-3-20-13(19)11-7(2)16-14(21)17-12(11)9-6-8(15)4-5-10(9)18/h4-6,12,18H,3H2,1-2H3,(H2,16,17,21)/t12-/m1/s1