[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-2-pyrrolidinecarboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O8S MolecularWeight: 456.50992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1CC(CN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)O

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1CC(CN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)O

InChI

InChI=1S/C20H28N2O8S/c1-12(18(24)21-20(2,3)4)30-19(25)15-9-13(23)11-22(15)31(26,27)14-5-6-16-17(10-14)29-8-7-28-16/h5-6,10,12-13,15,23H,7-9,11H2,1-4H3,(H,21,24)