[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NCCC2=CC=CS2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NCCC2=CC=CS2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5S/c1-10-15(19(22)23)11(2)18(17-10)8-14(21)24-9-13(20)16-6-5-12-4-3-7-25-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)