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

Systemtic Name: (2-cyanophenyl) (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (2-cyanophenyl) (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 (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) (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 (2-cyanophenyl) ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC=C4C#N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC=C4C#N

InChI

InChI=1S/C20H17N3O4S/c21-12-14-6-1-3-9-17(14)27-20(24)15-7-5-11-23(13-15)19-16-8-2-4-10-18(16)28(25,26)22-19/h1-4,6,8-10,15H,5,7,11,13H2/t15-/m0/s1