methyl 3-nitro-4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-[2-(phenylthio)ethylamino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzoate Traditional Name: 4-[2-keto-2-[2-(phenylthio)ethylamino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-25-18(22)13-7-8-16(15(11-13)20(23)24)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)