ethyl 4-[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NC(C2=CC=CS2)C(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NC(C2=CC=CS2)C(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S/c1-4-31-22(28)21-17(12-25(24-21)15-7-9-16(10-8-15)26(29)30)32-13-19(27)23-20(14(2)3)18-6-5-11-33-18/h5-12,14,20H,4,13H2,1-3H3,(H,23,27)