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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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