[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 1-(1,1-dioxothiolan-3-yl)-5-phenyl-pyrazole-3-carboxylate CAS Name: 1-(1,1-dioxo-3-thiolanyl)-5-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 1-(1,1-dioxothiolan-3-yl)-5-phenylpyrazole-3-carboxylate Traditional Name: 1-(1,1-diketothiolan-3-yl)-5-phenyl-pyrazole-3-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=NN(C(=C1)C2=CC=CC=C2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=NN(C(=C1)C2=CC=CC=C2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C19H23N3O5S/c1-13(2)20-18(23)11-27-19(24)16-10-17(14-6-4-3-5-7-14)22(21-16)15-8-9-28(25,26)12-15/h3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,20,23)