[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H21N3O3S/c1-13-18(14(2)23(3)22-13)20(25)26-12-17(24)21-19(16-10-7-11-27-16)15-8-5-4-6-9-15/h4-11,19H,12H2,1-3H3,(H,21,24)