N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]benzofuran-2-carboxamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-benzofurancarboxamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]coumarilamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=CC=CC=C3O2)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=CC=CC=C3O2)C4CCS(=O)(=O)C4

InChI

InChI=1S/C20H23N3O4S/c1-20(2,3)17-11-18(23(22-17)14-8-9-28(25,26)12-14)21-19(24)16-10-13-6-4-5-7-15(13)27-16/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,21,24)