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

Systemtic Name: (phenylmethyl) (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C19H18N2O4S/c22-19(25-13-14-7-2-1-3-8-14)16-10-6-12-21(16)18-15-9-4-5-11-17(15)26(23,24)20-18/h1-5,7-9,11,16H,6,10,12-13H2/t16-/m0/s1