ethyl 2-[4-(1-octan-2-yl-2-sulfanylidene-pyrimidin-5-yl)phenoxy]propanoate

Systemtic Name: ethyl 2-[4-(1-octan-2-yl-2-sulfanylidene-pyrimidin-5-yl)phenoxy]propanoate Openeye Name: ethyl 2-[4-[1-(1-methylheptyl)-2-thioxo-pyrimidin-5-yl]phenoxy]propanoate CAS Name: 2-[4-(1-octan-2-yl-2-sulfanylidene-5-pyrimidinyl)phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(1-octan-2-yl-2-sulfanylidenepyrimidin-5-yl)phenoxy]propanoate Traditional Name: 2-[4-[1-(1-methylheptyl)-2-thioxo-pyrimidin-5-yl]phenoxy]propionic acid ethyl ester Formula: C23H32N2O3S MolecularWeight: 416.57678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C=C(C=NC1=S)C2=CC=C(C=C2)OC(C)C(=O)OCC

Isomeric SMILES

CCCCCCC(C)N1C=C(C=NC1=S)C2=CC=C(C=C2)OC(C)C(=O)OCC

InChI

InChI=1S/C23H32N2O3S/c1-5-7-8-9-10-17(3)25-16-20(15-24-23(25)29)19-11-13-21(14-12-19)28-18(4)22(26)27-6-2/h11-18H,5-10H2,1-4H3