N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(4-propanoylphenoxy)ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(4-propanoylphenoxy)ethanamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(4-propanoylphenoxy)acetamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-[4-(1-oxopropyl)phenoxy]acetamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(4-propanoylphenoxy)acetamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-2-(4-propionylphenoxy)acetamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C(C)(C)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C(C)(C)C

InChI

InChI=1S/C22H29N3O5S/c1-5-18(26)15-6-8-17(9-7-15)30-13-21(27)23-20-12-19(22(2,3)4)24-25(20)16-10-11-31(28,29)14-16/h6-9,12,16H,5,10-11,13-14H2,1-4H3,(H,23,27)