ethyl 1-(4-nitrophenyl)-4-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethoxy]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-nitrophenyl)-4-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethoxy]pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-nitrophenyl)-4-[2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethoxy]pyrazole-3-carboxylate CAS Name: 1-(4-nitrophenyl)-4-[2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethoxy]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-nitrophenyl)-4-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethoxy]pyrazole-3-carboxylate Traditional Name: 4-[2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NC(=O)NCCC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NC(=O)NCCC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c1-2-32-20(28)19-17(12-25(24-19)14-5-7-15(8-6-14)26(30)31)33-13-18(27)23-21(29)22-10-9-16-4-3-11-34-16/h3-8,11-12H,2,9-10,13H2,1H3,(H2,22,23,27,29)