(4-ethanoylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (4-ethanoylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (4-acetylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid (4-acetylphenyl) ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5S/c1-12(19)13-2-6-15(7-3-13)23-17(20)10-11-24-16-8-4-14(5-9-16)18(21)22/h2-9H,10-11H2,1H3