ethyl 2-[2-nitro-5-(phenylmethylsulfanyl)phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-nitro-5-(phenylmethylsulfanyl)phenoxy]ethanoate Openeye Name: ethyl 2-(5-benzylsulfanyl-2-nitro-phenoxy)acetate CAS Name: 2-[2-nitro-5-(phenylmethylthio)phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-(5-benzylsulfanyl-2-nitrophenoxy)acetate Traditional Name: 2-[5-(benzylthio)-2-nitro-phenoxy]acetic acid ethyl ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC(=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)COC1=C(C=CC(=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5S/c1-2-22-17(19)11-23-16-10-14(8-9-15(16)18(20)21)24-12-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3