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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(4-methanoylphenoxy)ethanamide Openeye Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(4-formylphenoxy)acetamide CAS Name: N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-2-(4-formylphenoxy)acetamide IUPAC Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(4-formylphenoxy)acetamide Traditional Name: N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(4-formylphenoxy)acetamide Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/c1-12-8-16(20(19-12)14-6-7-26(23,24)11-14)18-17(22)10-25-15-4-2-13(9-21)3-5-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,18,22)