1,3-benzodioxol-5-yl (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-pyrrolidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(1,1-diketo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H16N2O6S/c22-19(27-12-7-8-15-16(10-12)26-11-25-15)14-5-3-9-21(14)18-13-4-1-2-6-17(13)28(23,24)20-18/h1-2,4,6-8,10,14H,3,5,9,11H2/t14-/m0/s1