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

Systemtic Name: (4-ethanoylphenyl) (2R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-2-carboxylate Openeye Name: (4-acetylphenyl) (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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (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 (4-acetylphenyl) ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCCCN2C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H]2CCCCN2C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H20N2O5S/c1-14(24)15-9-11-16(12-10-15)28-21(25)18-7-4-5-13-23(18)20-17-6-2-3-8-19(17)29(26,27)22-20/h2-3,6,8-12,18H,4-5,7,13H2,1H3/t18-/m1/s1