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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C23H24N2O6S MolecularWeight: 456.51146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O6S/c1-15(26)16-9-10-20(30-2)18(12-16)14-31-23(27)17-6-5-11-25(13-17)22-19-7-3-4-8-21(19)32(28,29)24-22/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3