ethyl 2,2-dimethyl-6-[4-(5-pyrimidin-2-ylsulfanylpentoxy)phenoxy]hexanoate

Systemtic Name: ethyl 2,2-dimethyl-6-[4-(5-pyrimidin-2-ylsulfanylpentoxy)phenoxy]hexanoate Openeye Name: ethyl 2,2-dimethyl-6-[4-(5-pyrimidin-2-ylsulfanylpentoxy)phenoxy]hexanoate CAS Name: 2,2-dimethyl-6-[4-[5-(2-pyrimidinylthio)pentoxy]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-6-[4-(5-pyrimidin-2-ylsulfanylpentoxy)phenoxy]hexanoate Traditional Name: 2,2-dimethyl-6-[4-[5-(2-pyrimidylthio)pentoxy]phenoxy]hexanoic acid ethyl ester Formula: C25H36N2O4S MolecularWeight: 460.62934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2=NC=CC=N2

InChI

InChI=1S/C25H36N2O4S/c1-4-29-23(28)25(2,3)15-6-8-19-31-22-13-11-21(12-14-22)30-18-7-5-9-20-32-24-26-16-10-17-27-24/h10-14,16-17H,4-9,15,18-20H2,1-3H3