phenacyl 2-[(4-nitrophenyl)methylsulfanyl]ethanoate

Systemtic Name: phenacyl 2-[(4-nitrophenyl)methylsulfanyl]ethanoate Openeye Name: phenacyl 2-[(4-nitrophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-nitrophenyl)methylthio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[(4-nitrophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-nitrobenzyl)thio]acetic acid phenacyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5S/c19-16(14-4-2-1-3-5-14)10-23-17(20)12-24-11-13-6-8-15(9-7-13)18(21)22/h1-9H,10-12H2