[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6S/c1-25-16-8-7-13(20(23)24)11-15(16)18(22)26-12-17(21)19-9-10-27-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,19,21)