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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-1-keto-isochroman-3-carboxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C4CCS(=O)(=O)C4

InChI

InChI=1S/C21H25N3O5S/c1-21(2,3)17-11-18(24(23-17)14-8-9-30(27,28)12-14)22-19(25)16-10-13-6-4-5-7-15(13)20(26)29-16/h4-7,11,14,16H,8-10,12H2,1-3H3,(H,22,25)