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

Systemtic Name: (4-cyanophenyl)methyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]acetic acid (4-cyanobenzyl) ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H19NO4S/c1-14(22)17-7-8-19(24-2)18(9-17)12-26-13-20(23)25-11-16-5-3-15(10-21)4-6-16/h3-9H,11-13H2,1-2H3