ethyl 2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-diphenethyloxy-2-pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4,6-diphenethyloxypyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diphenethyloxypyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC(=N1)OCCC2=CC=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=CC(=N1)OCCC2=CC=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4S/c1-2-28-23(27)18-31-24-25-21(29-15-13-19-9-5-3-6-10-19)17-22(26-24)30-16-14-20-11-7-4-8-12-20/h3-12,17H,2,13-16,18H2,1H3