N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(4-ethanoylphenoxy)ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(4-ethanoylphenoxy)ethanamide Openeye Name: 2-(4-acetylphenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]acetamide CAS Name: 2-(4-acetylphenoxy)-N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]acetamide IUPAC Name: 2-(4-acetylphenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide Traditional Name: 2-(4-acetylphenoxy)-N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)C)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C18H21N3O5S/c1-12-9-17(21(20-12)15-7-8-27(24,25)11-15)19-18(23)10-26-16-5-3-14(4-6-16)13(2)22/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,19,23)