2-[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[4-acetyl-2-[(2-pyrimidinylthio)methyl]phenoxy]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[4-acetyl-2-[(2-pyrimidylthio)methyl]phenoxy]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)CSC3=NC=CC=N3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)CSC3=NC=CC=N3

InChI

InChI=1S/C22H20N4O6S/c1-14(27)15-4-7-19(16(10-15)13-33-22-23-8-3-9-24-22)32-12-21(28)25-18-6-5-17(26(29)30)11-20(18)31-2/h3-11H,12-13H2,1-2H3,(H,25,28)