2-phenoxyethyl (2R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-2-carboxylate

Systemtic Name: 2-phenoxyethyl (2R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-2-carboxylate Openeye Name: 2-phenoxyethyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate CAS Name: (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate Traditional Name: (2R)-1-(1,1-diketo-1,2-benzothiazol-3-yl)pipecolinic acid 2-phenoxyethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCOC2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCCOC2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N2O5S/c24-21(28-15-14-27-16-8-2-1-3-9-16)18-11-6-7-13-23(18)20-17-10-4-5-12-19(17)29(25,26)22-20/h1-5,8-10,12,18H,6-7,11,13-15H2/t18-/m1/s1