ethyl 2-pyrimidin-2-ylsulfonyloct-7-enoate

Systemtic Name: ethyl 2-pyrimidin-2-ylsulfonyloct-7-enoate Openeye Name: ethyl 2-pyrimidin-2-ylsulfonyloct-7-enoate CAS Name: 2-(2-pyrimidinylsulfonyl)-7-octenoic acid ethyl ester IUPAC Name: ethyl 2-pyrimidin-2-ylsulfonyloct-7-enoate Traditional Name: 2-(2-pyrimidylsulfonyl)oct-7-enoic acid ethyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-3-5-6-7-9-12(13(17)20-4-2)21(18,19)14-15-10-8-11-16-14/h3,8,10-12H,1,4-7,9H2,2H3