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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3,4,5-trimethoxy-benzamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-3,4,5-trimethoxy-benzamide Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S/c1-21(2,3)17-11-18(24(23-17)14-7-8-31(26,27)12-14)22-20(25)13-9-15(28-4)19(30-6)16(10-13)29-5/h9-11,14H,7-8,12H2,1-6H3,(H,22,25)