1-acetyloxyethyl 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-fluoranyl-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate

Systemtic Name: 1-acetyloxyethyl 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-fluoranyl-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate Openeye Name: 1-acetoxyethyl 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-fluoro-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-fluorophenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid 1-acetyloxyethyl ester IUPAC Name: 1-acetyloxyethyl 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-fluorophenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-fluoro-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid 1-acetoxyethyl ester Formula: C23H24BrFN2O5S MolecularWeight: 539.414463

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C)OC(=O)N1CCCN=C1C2=C(C(=CC=C2)F)SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(OC(=O)C)OC(=O)N1CCCN=C1C2=C(C(=CC=C2)F)SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H24BrFN2O5S/c1-14(28)31-15(2)32-23(29)27-11-5-10-26-22(27)18-6-4-7-19(25)21(18)33-13-16-12-17(24)8-9-20(16)30-3/h4,6-9,12,15H,5,10-11,13H2,1-3H3