ethyl 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylsulfanyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylsulfanyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)ethylsulfanyl]phenoxy]acetate CAS Name: 2-[4-[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)ethylthio]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethylsulfanyl]phenoxy]acetate Traditional Name: 2-[4-[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)ethylthio]phenoxy]acetic acid ethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=O)N1CCSC2=CC=C(C=C2)OCC(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=CC(=O)N1CCSC2=CC=C(C=C2)OCC(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4S/c1-3-22-25-21(18-8-6-5-7-9-18)16-23(27)26(22)14-15-31-20-12-10-19(11-13-20)30-17-24(28)29-4-2/h5-13,16H,3-4,14-15,17H2,1-2H3