[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6S/c1-18(2)11-6-5-10(8-12(11)19(23)24)16(22)25-9-14(20)17-15(21)13-4-3-7-26-13/h3-8H,9H2,1-2H3,(H,17,20,21)