[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O7S/c1-24-14-8-12(13(19(22)23)9-15(14)25-2)17(21)26-10-16(20)18-6-5-11-4-3-7-27-11/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,20)