(4-ethanoyl-2-methoxy-phenyl) (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (4-acetyl-2-methoxy-phenyl) (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 (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) (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 (4-acetyl-2-methoxy-phenyl) ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)[C@H]2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43)OC

InChI

InChI=1S/C22H22N2O6S/c1-14(25)15-9-10-18(19(12-15)29-2)30-22(26)16-6-5-11-24(13-16)21-17-7-3-4-8-20(17)31(27,28)23-21/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3/t16-/m0/s1