1,3-benzothiazol-2-ylmethyl (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O4S2/c25-21(28-13-19-22-16-8-2-3-9-17(16)29-19)14-6-5-11-24(12-14)20-15-7-1-4-10-18(15)30(26,27)23-20/h1-4,7-10,14H,5-6,11-13H2/t14-/m0/s1