phenacyl 3-[(4-nitrophenyl)methylsulfanyl]propanoate

Systemtic Name: phenacyl 3-[(4-nitrophenyl)methylsulfanyl]propanoate Openeye Name: phenacyl 3-[(4-nitrophenyl)methylsulfanyl]propanoate CAS Name: 3-[(4-nitrophenyl)methylthio]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(4-nitrophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(4-nitrobenzyl)thio]propionic acid phenacyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S/c20-17(15-4-2-1-3-5-15)12-24-18(21)10-11-25-13-14-6-8-16(9-7-14)19(22)23/h1-9H,10-13H2