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

Systemtic Name: phenacyl (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (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 phenacyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5S/c23-17(14-7-2-1-3-8-14)13-27-20(24)16-10-6-12-22(16)19-15-9-4-5-11-18(15)28(25,26)21-19/h1-5,7-9,11,16H,6,10,12-13H2/t16-/m0/s1