[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoate CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]propanoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propionic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NCC2=CC=CS2

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NCC2=CC=CS2

InChI

InChI=1S/C19H27N3O3S/c1-13(2)11-22-15(4)17(14(3)21-22)7-8-19(24)25-12-18(23)20-10-16-6-5-9-26-16/h5-6,9,13H,7-8,10-12H2,1-4H3,(H,20,23)