ethyl 2-fluoranyl-2-pyrimidin-2-ylsulfonyl-oct-7-enoate

Systemtic Name: ethyl 2-fluoranyl-2-pyrimidin-2-ylsulfonyl-oct-7-enoate Openeye Name: ethyl 2-fluoro-2-pyrimidin-2-ylsulfonyl-oct-7-enoate CAS Name: 2-fluoro-2-(2-pyrimidinylsulfonyl)-7-octenoic acid ethyl ester IUPAC Name: ethyl 2-fluoro-2-pyrimidin-2-ylsulfonyloct-7-enoate Traditional Name: 2-fluoro-2-(2-pyrimidylsulfonyl)oct-7-enoic acid ethyl ester Formula: C14H19FN2O4S MolecularWeight: 330.375063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC=C)(F)S(=O)(=O)C1=NC=CC=N1

Isomeric SMILES

CCOC(=O)C(CCCCC=C)(F)S(=O)(=O)C1=NC=CC=N1

InChI

InChI=1S/C14H19FN2O4S/c1-3-5-6-7-9-14(15,12(18)21-4-2)22(19,20)13-16-10-8-11-17-13/h3,8,10-11H,1,4-7,9H2,2H3