(5-ethanoyl-2-methoxy-phenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H21NO4S/c1-17(27)20-11-12-23(29-2)21(13-20)15-30-25(28)22-5-3-4-6-24(22)31-16-19-9-7-18(14-26)8-10-19/h3-13H,15-16H2,1-2H3