[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C(C)OC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

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