methyl 3-nitro-4-[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[2-(2-thenylthio)ethylamino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCCSCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCCSCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S2/c1-24-17(21)12-4-5-15(14(9-12)19(22)23)25-10-16(20)18-6-8-26-11-13-3-2-7-27-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,18,20)