N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=C(C(=C2)OC)OCCO3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=C(C(=C2)OC)OCCO3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C21H27N3O6S/c1-21(2,3)17-11-18(24(23-17)14-5-8-31(26,27)12-14)22-20(25)13-9-15(28-4)19-16(10-13)29-6-7-30-19/h9-11,14H,5-8,12H2,1-4H3,(H,22,25)