N-(1,3-benzodioxol-5-yl)-7-cyclohexyl-2,2,4-tris(oxidanylidene)-1H-isothiochromene-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-7-cyclohexyl-2,2,4-tris(oxidanylidene)-1H-isothiochromene-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-7-cyclohexyl-2,2,4-trioxo-1H-isothiochromene-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-7-cyclohexyl-2,2,4-trioxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-7-cyclohexyl-2,2,4-trioxo-1H-isothiochromene-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-7-cyclohexyl-2,2,4-triketo-1H-isothiochromene-1-carboxamide Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)C(=O)CS(=O)(=O)C3C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)C(=O)CS(=O)(=O)C3C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23NO6S/c25-19-12-31(27,28)22(23(26)24-16-7-9-20-21(11-16)30-13-29-20)18-10-15(6-8-17(18)19)14-4-2-1-3-5-14/h6-11,14,22H,1-5,12-13H2,(H,24,26)